CID 470880

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

Structural Information

Molecular Formula
C11H16N4O4S
SMILES
CN(C)C(=O)C1=CN(C(=O)N=C1N)[C@H]2CS[C@H](O2)CO
InChI
InChI=1S/C11H16N4O4S/c1-14(2)10(17)6-3-15(11(18)13-9(6)12)7-5-20-8(4-16)19-7/h3,7-8,16H,4-5H2,1-2H3,(H2,12,13,18)/t7-,8+/m1/s1
InChIKey
MEHKTNLPWNZVEF-SFYZADRCSA-N
Compound name
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-N,N-dimethyl-2-oxopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08923 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09651 166.9
[M+Na]+ 323.07845 174.3
[M-H]- 299.08195 172.0
[M+NH4]+ 318.12305 179.7
[M+K]+ 339.05239 172.9
[M+H-H2O]+ 283.08649 159.1
[M+HCOO]- 345.08743 182.1
[M+CH3COO]- 359.10308 205.3
[M+Na-2H]- 321.06390 165.3
[M]+ 300.08868 168.9
[M]- 300.08978 168.9
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.