PubChemLite - Guanylyl imidodiphosphate (C10H17N6O13P3)

Structural Information

Molecular Formula

SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N

InChI

InChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1

InChIKey

UQABYHGXWYXDTK-UUOKFMHZSA-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]amino]phosphonic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	523.01393	196.6
[M+Na]+	544.99587	202.0
[M+NH4]+	540.04047	198.3
[M+K]+	560.96981	200.3
[M-H]-	520.99937	191.7
[M+Na-2H]-	542.98132	194.0
[M]+	522.00610	195.9
[M]-	522.00720	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.01393

196.6

[M+Na]+

544.99587

202.0

[M+NH4]+

540.04047

198.3

[M+K]+

560.96981

200.3

[M-H]-

520.99937

191.7

[M+Na-2H]-

542.98132

194.0

[M]+

522.00610

195.9

[M]-

522.00720

195.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Guanylyl imidodiphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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