PubChemLite - 2,4(1h,3h)-pyrimidinedione, 1-[(7r)-8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-3a-hydroxy-2,2-dioxidofuro[3',2':3,4]furo[2,3-d]-1,2-oxathiol-7-yl]-5-methyl- (C18H28N2O9SSi)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C(C34C(O2)COC3(CS(=O)(=O)O4)O)O[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C18H28N2O9SSi/c1-10-7-20(15(22)19-13(10)21)14-12(28-31(5,6)16(2,3)4)18-11(27-14)8-26-17(18,23)9-30(24,25)29-18/h7,11-12,14,23H,8-9H2,1-6H3,(H,19,21,22)/t11?,12?,14-,17?,18?/m1/s1

InChIKey

LDTQIFHGBZZOSW-UUYKNYENSA-N

Compound name

1-[(10R)-11-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3-dioxo-2,6,9-trioxa-3lambda6-thiatricyclo[6.3.0.01,5]undecan-10-yl]-5-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	477.13576	193.9
[M+Na]+	499.11770	203.3
[M-H]-	475.12120	200.8
[M+NH4]+	494.16230	208.3
[M+K]+	515.09164	205.6
[M+H-H2O]+	459.12574	195.6
[M+HCOO]-	521.12668	199.5
[M+CH3COO]-	535.14233	223.6
[M+Na-2H]-	497.10315	200.0
[M]+	476.12793	204.4
[M]-	476.12903	204.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.13576

193.9

[M+Na]+

499.11770

203.3

[M-H]-

475.12120

200.8

[M+NH4]+

494.16230

208.3

[M+K]+

515.09164

205.6

[M+H-H2O]+

459.12574

195.6

[M+HCOO]-

521.12668

199.5

[M+CH3COO]-

535.14233

223.6

[M+Na-2H]-

497.10315

200.0

[M]+

476.12793

204.4

[M]-

476.12903

204.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

2,4(1h,3h)-pyrimidinedione, 1-[(7r)-8-[[(1,1-dimethylethyl)dimethylsilyl]oxy]hexahydro-3a-hydroxy-2,2-dioxidofuro[3',2':3,4]furo[2,3-d]-1,2-oxathiol-7-yl]-5-methyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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