CID 451494

5'-azido-2',5'-dideoxycytidine

Structural Information

Molecular Formula
C9H12N6O3
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CN=[N+]=[N-])O
InChI
InChI=1S/C9H12N6O3/c10-7-1-2-15(9(17)13-7)8-3-5(16)6(18-8)4-12-14-11/h1-2,5-6,8,16H,3-4H2,(H2,10,13,17)/t5-,6+,8+/m0/s1
InChIKey
BYOFOXNPSZKEAF-SHYZEUOFSA-N
Compound name
4-amino-1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxyoxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

252.09709 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10437 151.8
[M+Na]+ 275.08631 158.8
[M-H]- 251.08981 158.1
[M+NH4]+ 270.13091 165.4
[M+K]+ 291.06025 152.4
[M+H-H2O]+ 235.09435 147.1
[M+HCOO]- 297.09529 178.4
[M+CH3COO]- 311.11094 194.8
[M+Na-2H]- 273.07176 159.9
[M]+ 252.09654 147.7
[M]- 252.09764 147.7
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

patents stripe