CID 460319

N^4-(2-hydroxyethyl)-5-methyl-3'-azido-2',3'-dideoxycytidine

Structural Information

Molecular Formula
C12H19N7O4
SMILES
CC1=CN(C(=O)N=C1NNCCO)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C12H19N7O4/c1-7-5-19(12(22)15-11(7)17-14-2-3-20)10-4-8(16-18-13)9(6-21)23-10/h5,8-10,14,20-21H,2-4,6H2,1H3,(H,15,17,22)/t8-,9+,10+/m0/s1
InChIKey
UKVYWXNNRAIMAX-IVZWLZJFSA-N
Compound name
1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-4-[2-(2-hydroxyethyl)hydrazinyl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14984 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15712 169.8
[M+Na]+ 348.13906 174.7
[M-H]- 324.14256 175.1
[M+NH4]+ 343.18366 179.8
[M+K]+ 364.11300 167.7
[M+H-H2O]+ 308.14710 164.4
[M+HCOO]- 370.14804 195.6
[M+CH3COO]- 384.16369 211.0
[M+Na-2H]- 346.12451 177.6
[M]+ 325.14929 166.9
[M]- 325.15039 166.9
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.