PubChemLite - Adp ribose (C15H23N5O14P2)

Structural Information

Molecular Formula

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@H]([C@H]([C@H](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)/t6-,7+,8+,10-,11+,12+,15+/m0/s1

InChIKey

PWJFNRJRHXWEPT-AOOZFPJJSA-N

Compound name

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3R,4R)-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	210.5
[M+Na]+	582.06088	216.2
[M+NH4]+	577.10548	212.7
[M+K]+	598.03482	214.4
[M-H]-	558.06438	206.2
[M+Na-2H]-	580.04633	212.4
[M]+	559.07111	210.5
[M]-	559.07221	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

560.07894

210.5

[M+Na]+

582.06088

216.2

[M+NH4]+

577.10548

212.7

[M+K]+

598.03482

214.4

[M-H]-

558.06438

206.2

[M+Na-2H]-

580.04633

212.4

[M]+

559.07111

210.5

[M]-

559.07221

210.5

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