PubChemLite - 1(2h)-pyrimidineacetic acid, 3-[(2r,5s)-5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,5-dihydro-2-furanyl]-3,6-dihydro-5-methyl-2,6-dioxo- (C18H28N2O6Si)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)N(C1=O)CC(=O)O)[C@H]2C=C[C@H](O2)CO[Si](C)(C)C(C)(C)C

InChI

InChI=1S/C18H28N2O6Si/c1-12-9-19(17(24)20(16(12)23)10-15(21)22)14-8-7-13(26-14)11-25-27(5,6)18(2,3)4/h7-9,13-14H,10-11H2,1-6H3,(H,21,22)/t13-,14+/m0/s1

InChIKey

ZQMMEOONPGUUDB-UONOGXRCSA-N

Compound name

2-[3-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetic acid

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]+	397.17894	189.5
[M+Na]+	419.16088	197.4
[M-H]-	395.16438	193.8
[M+NH4]+	414.20548	199.1
[M+K]+	435.13482	196.3
[M+H-H2O]+	379.16892	182.6
[M+HCOO]-	441.16986	203.9
[M+CH3COO]-	455.18551	218.1
[M+Na-2H]-	417.14633	190.2
[M]+	396.17111	196.3
[M]-	396.17221	196.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.17894

189.5

[M+Na]+

419.16088

197.4

[M-H]-

395.16438

193.8

[M+NH4]+

414.20548

199.1

[M+K]+

435.13482

196.3

[M+H-H2O]+

379.16892

182.6

[M+HCOO]-

441.16986

203.9

[M+CH3COO]-

455.18551

218.1

[M+Na-2H]-

417.14633

190.2

[M]+

396.17111

196.3

[M]-

396.17221

196.3

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

1(2h)-pyrimidineacetic acid, 3-[(2r,5s)-5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]-2,5-dihydro-2-furanyl]-3,6-dihydro-5-methyl-2,6-dioxo-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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