PubChemLite - 2,4(1h,3h)-pyrimidinedione, 1-[3-azido-2,3-dideoxy-5-o-[(1,1-dimethylethyl)dimethylsilyl]-.beta.-d-erythro-pentofuranosyl]-3-(2-methoxy-2-oxoethyl)-5-methyl- (C19H31N5O6Si)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H31N5O6Si/c1-12-9-23(18(27)24(17(12)26)10-16(25)28-5)15-8-13(21-22-20)14(30-15)11-29-31(6,7)19(2,3)4/h9,13-15H,8,10-11H2,1-7H3/t13-,14+,15+/m0/s1

InChIKey

XDEKMAMXWXBGAO-RRFJBIMHSA-N

Compound name

methyl 2-[3-[(2R,4S,5S)-4-azido-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]acetate

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]+	454.21163	206.8
[M+Na]+	476.19357	212.4
[M-H]-	452.19707	214.8
[M+NH4]+	471.23817	214.7
[M+K]+	492.16751	207.3
[M+H-H2O]+	436.20161	202.7
[M+HCOO]-	498.20255	227.4
[M+CH3COO]-	512.21820	233.5
[M+Na-2H]-	474.17902	212.3
[M]+	453.20380	211.5
[M]-	453.20490	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.21163

206.8

[M+Na]+

476.19357

212.4

[M-H]-

452.19707

214.8

[M+NH4]+

471.23817

214.7

[M+K]+

492.16751

207.3

[M+H-H2O]+

436.20161

202.7

[M+HCOO]-

498.20255

227.4

[M+CH3COO]-

512.21820

233.5

[M+Na-2H]-

474.17902

212.3

[M]+

453.20380

211.5

[M]-

453.20490

211.5

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-[3-azido-2,3-dideoxy-5-o-[(1,1-dimethylethyl)dimethylsilyl]-.beta.-d-erythro-pentofuranosyl]-3-(2-methoxy-2-oxoethyl)-5-methyl-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe