PubChemLite - Adp ribose (C15H23N5O14P2)

Structural Information

Molecular Formula

SMILES

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC(C(C(C=O)O)O)O)O)O)N

InChI

InChI=1S/C15H23N5O14P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(26)11(25)8(33-15)3-32-36(29,30)34-35(27,28)31-2-7(23)10(24)6(22)1-21/h1,4-8,10-12,15,22-26H,2-3H2,(H,27,28)(H,29,30)(H2,16,17,18)

InChIKey

PWJFNRJRHXWEPT-UHFFFAOYSA-N

Compound name

[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] (2,3,4-trihydroxy-5-oxopentyl) hydrogen phosphate

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]+	560.07894	208.1
[M+Na]+	582.06088	210.7
[M-H]-	558.06438	202.9
[M+NH4]+	577.10548	207.5
[M+K]+	598.03482	208.3
[M+H-H2O]+	542.06892	192.2
[M+HCOO]-	604.06986	209.9
[M+CH3COO]-	618.08551	240.2
[M+Na-2H]-	580.04633	205.4
[M]+	559.07111	205.8
[M]-	559.07221	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

560.07894

208.1

[M+Na]+

582.06088

210.7

[M-H]-

558.06438

202.9

[M+NH4]+

577.10548

207.5

[M+K]+

598.03482

208.3

[M+H-H2O]+

542.06892

192.2

[M+HCOO]-

604.06986

209.9

[M+CH3COO]-

618.08551

240.2

[M+Na-2H]-

580.04633

205.4

[M]+

559.07111

205.8

[M]-

559.07221

205.8

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

Adp ribose

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe