PubChemLite - Mhdea (C14H22N8O4)

Structural Information

Molecular Formula

SMILES

CN(CCC(=O)NN)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O

InChI

InChI=1S/C14H22N8O4/c1-21(3-2-8(23)20-16)4-7-10(24)11(25)14(26-7)22-6-19-9-12(15)17-5-18-13(9)22/h5-7,10-11,14,24-25H,2-4,16H2,1H3,(H,20,23)(H2,15,17,18)/t7-,10-,11-,14-/m1/s1

InChIKey

WKMJVKMHOKHLRE-FRJWGUMJSA-N

Compound name

3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl-methylamino]propanehydrazide

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]+	367.18368	181.3
[M+Na]+	389.16562	187.3
[M-H]-	365.16912	184.3
[M+NH4]+	384.21022	189.5
[M+K]+	405.13956	185.9
[M+H-H2O]+	349.17366	171.9
[M+HCOO]-	411.17460	199.7
[M+CH3COO]-	425.19025	224.5
[M+Na-2H]-	387.15107	181.8
[M]+	366.17585	181.5
[M]-	366.17695	181.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

367.18368

181.3

[M+Na]+

389.16562

187.3

[M-H]-

365.16912

184.3

[M+NH4]+

384.21022

189.5

[M+K]+

405.13956

185.9

[M+H-H2O]+

349.17366

171.9

[M+HCOO]-

411.17460

199.7

[M+CH3COO]-

425.19025

224.5

[M+Na-2H]-

387.15107

181.8

[M]+

366.17585

181.5

[M]-

366.17695

181.5

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

Mhdea

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe