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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.