CID 136058920

8-azidoguanosine triphosphate

Structural Information

Molecular Formula
C10H15N8O14P3
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C3=C(C(=O)NC(=N3)N)N=C2N=[N+]=[N-])O)O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
InChI
InChI=1S/C10H15N8O14P3/c11-9-14-6-3(7(21)15-9)13-10(16-17-12)18(6)8-5(20)4(19)2(30-8)1-29-34(25,26)32-35(27,28)31-33(22,23)24/h2,4-5,8,19-20H,1H2,(H,25,26)(H,27,28)(H2,22,23,24)(H3,11,14,15,21)/t2-,4-,5-,8-/m1/s1
InChIKey
JOEORHHXHRXYIW-UMMCILCDSA-N
Compound name
[[(2R,3S,4R,5R)-5-(2-amino-8-azido-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

37
References

28
Patents

563.99207 Da
Monoisotopic Mass

-5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.99935 205.6
[M+Na]+ 586.98129 209.8
[M-H]- 562.98479 202.4
[M+NH4]+ 582.02589 206.9
[M+K]+ 602.95523 209.7
[M+H-H2O]+ 546.98933 193.3
[M+HCOO]- 608.99027 209.3
[M+CH3COO]- 623.00592 239.3
[M+Na-2H]- 584.96674 213.2
[M]+ 563.99152 212.3
[M]- 563.99262 212.3
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