CID 451851

2'-3'-dideoxy-5-azacytidine

Structural Information

Molecular Formula
C8H12N4O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC(=NC2=O)N
InChI
InChI=1S/C8H12N4O3/c9-7-10-4-12(8(14)11-7)6-2-1-5(3-13)15-6/h4-6,13H,1-3H2,(H2,9,11,14)/t5-,6+/m0/s1
InChIKey
OSVRWASALYRZNO-NTSWFWBYSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

41
Patents

212.09094 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.09822 144.6
[M+Na]+ 235.08016 153.3
[M-H]- 211.08366 146.7
[M+NH4]+ 230.12476 158.5
[M+K]+ 251.05410 151.4
[M+H-H2O]+ 195.08820 136.1
[M+HCOO]- 257.08914 163.6
[M+CH3COO]- 271.10479 183.8
[M+Na-2H]- 233.06561 148.5
[M]+ 212.09039 142.8
[M]- 212.09149 142.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe