CID 135450577

Gtp gamma-4-azidoanilide

Structural Information

Molecular Formula
C16H20N9O13P3
SMILES
C1=CC(=CC=C1NP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)O)N=[N+]=[N-]
InChI
InChI=1S/C16H20N9O13P3/c17-16-20-13-10(14(28)21-16)19-6-25(13)15-12(27)11(26)9(36-15)5-35-40(31,32)38-41(33,34)37-39(29,30)23-8-3-1-7(2-4-8)22-24-18/h1-4,6,9,11-12,15,26-27H,5H2,(H,31,32)(H,33,34)(H2,23,29,30)(H3,17,20,21,28)/t9-,11-,12-,15-/m1/s1
InChIKey
OIEPSMNDOZUCOC-SDBHATRESA-N
Compound name
[[[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-N-(4-azidophenyl)phosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

61
References

16
Patents

639.03937 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 640.04665 215.8
[M+Na]+ 662.02859 222.1
[M+NH4]+ 657.07319 219.2
[M+K]+ 678.00253 219.3
[M-H]- 638.03209 213.1
[M+Na-2H]- 660.01404 218.1
[M]+ 639.03882 217.2
[M]- 639.03992 217.2
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