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]+ 287.080856 162.2
[M+Na]+ 309.062798 170.0
[M-H]- 285.066304 166.0
[M+NH4]+ 304.107403 175.0
[M+K]+ 325.036738 167.4
[M+H-H2O]+ 269.070840 154.7
[M+HCOO]- 331.071781 177.3
[M+CH3COO]- 345.087431 199.1
[M+Na-2H]- 307.048246 161.7
[M]+ 286.07303142 162.6
[M]- 286.07412858 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.