CID 457388

4'-azidocytidine

Structural Information

Molecular Formula
C9H12N6O5
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@](O2)(CO)N=[N+]=[N-])O)O
InChI
InChI=1S/C9H12N6O5/c10-4-1-2-15(8(19)12-4)7-5(17)6(18)9(3-16,20-7)13-14-11/h1-2,5-7,16-18H,3H2,(H2,10,12,19)/t5-,6+,7-,9-/m1/s1
InChIKey
ODLGMSQBFONGNG-JVZYCSMKSA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-5-azido-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

944
Patents

284.0869 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09418 156.6
[M+Na]+ 307.07612 165.2
[M+NH4]+ 302.12072 161.7
[M+K]+ 323.05006 165.6
[M-H]- 283.07962 160.0
[M+Na-2H]- 305.06157 160.7
[M]+ 284.08635 158.1
[M]- 284.08745 158.1
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