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
3
Annotation Hits

42
References

1030
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 154.2
[M+Na]+ 307.07612 161.7
[M-H]- 283.07962 158.5
[M+NH4]+ 302.12072 167.2
[M+K]+ 323.05006 155.1
[M+H-H2O]+ 267.08416 151.0
[M+HCOO]- 329.08510 178.1
[M+CH3COO]- 343.10075 195.5
[M+Na-2H]- 305.06157 163.2
[M]+ 284.08635 150.1
[M]- 284.08745 150.1
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.