CID 452988

4'-azido-2'-deoxycytidine

Structural Information

Molecular Formula
C9H12N6O4
SMILES
C1[C@@H]([C@](O[C@H]1N2C=CC(=NC2=O)N)(CO)N=[N+]=[N-])O
InChI
InChI=1S/C9H12N6O4/c10-6-1-2-15(8(18)12-6)7-3-5(17)9(4-16,19-7)13-14-11/h1-2,5,7,16-17H,3-4H2,(H2,10,12,18)/t5-,7+,9+/m0/s1
InChIKey
JECSVLDNKUJUJT-MTQIGAJGSA-N
Compound name
4-amino-1-[(2R,4S,5R)-5-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

268.092 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09928 151.3
[M+Na]+ 291.08122 158.7
[M-H]- 267.08472 156.6
[M+NH4]+ 286.12582 165.6
[M+K]+ 307.05516 152.3
[M+H-H2O]+ 251.08926 147.8
[M+HCOO]- 313.09020 176.7
[M+CH3COO]- 327.10585 194.2
[M+Na-2H]- 289.06667 161.1
[M]+ 268.09145 147.3
[M]- 268.09255 147.3
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