CID 6334688

3'-azido-5'-phosphite-2',3'-dideoxycytidine

Structural Information

Molecular Formula
C9H12N6O5P
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P+](=O)O)N=[N+]=[N-]
InChI
InChI=1S/C9H11N6O5P/c10-7-1-2-15(9(16)12-7)8-3-5(13-14-11)6(20-8)4-19-21(17)18/h1-2,5-6,8H,3-4H2,(H2-,10,12,16,17,18)/p+1/t5-,6+,8+/m0/s1
InChIKey
RXEPBDPXJVIOGT-SHYZEUOFSA-O
Compound name
[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-azidooxolan-2-yl]methoxy-hydroxy-oxophosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

315.06067 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06795 160.6
[M+Na]+ 338.04989 165.5
[M-H]- 314.05339 166.0
[M+NH4]+ 333.09449 171.2
[M+K]+ 354.02383 155.1
[M+H-H2O]+ 298.05793 156.1
[M+HCOO]- 360.05887 190.7
[M+CH3COO]- 374.07452 198.8
[M+Na-2H]- 336.03534 168.8
[M]+ 315.06012 156.9
[M]- 315.06122 156.9
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

patents stripe