CID 93258

2'-azido-2'-deoxycytidine

Structural Information

Molecular Formula
C9H12N6O4
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]
InChI
InChI=1S/C9H12N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,16-17H,3H2,(H2,10,12,18)/t4-,6-,7-,8-/m1/s1
InChIKey
FEOYKPQEERVCAV-XVFCMESISA-N
Compound name
4-amino-1-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

934
Patents

268.092 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09928 154.8
[M+Na]+ 291.08122 162.1
[M-H]- 267.08472 160.2
[M+NH4]+ 286.12582 167.3
[M+K]+ 307.05516 155.3
[M+H-H2O]+ 251.08926 150.5
[M+HCOO]- 313.09020 180.1
[M+CH3COO]- 327.10585 196.0
[M+Na-2H]- 289.06667 162.2
[M]+ 268.09145 150.7
[M]- 268.09255 150.7
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

No patent data available for this compound.