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

literature stripe

Patent stripe

patents stripe