CID 470879

(+/-)-.beta.-5-n-methylaminoformyl-3'-thia-2',3'-dideoxycytidine

Structural Information

Molecular Formula
C10H14N4O4S
SMILES
CNC(=O)C1=CN(C(=O)N=C1N)[C@H]2CS[C@H](O2)CO
InChI
InChI=1S/C10H14N4O4S/c1-12-9(16)5-2-14(10(17)13-8(5)11)6-4-19-7(3-15)18-6/h2,6-7,15H,3-4H2,1H3,(H,12,16)(H2,11,13,17)/t6-,7+/m1/s1
InChIKey
TYQDBICSGRCLPJ-RQJHMYQMSA-N
Compound name
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-N-methyl-2-oxopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07358 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08086 162.2
[M+Na]+ 309.06280 170.0
[M-H]- 285.06630 166.0
[M+NH4]+ 304.10740 175.0
[M+K]+ 325.03674 167.4
[M+H-H2O]+ 269.07084 154.7
[M+HCOO]- 331.07178 177.3
[M+CH3COO]- 345.08743 199.1
[M+Na-2H]- 307.04825 161.7
[M]+ 286.07303 162.6
[M]- 286.07413 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.