PubChemLite - Mhzpa (C14H24N8O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1

InChIKey

MYNRDUPGBPOWQT-IDTAVKCVSA-N

Compound name

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-hydrazinylpropyl(methyl)amino]methyl]oxolane-3,4-diol

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]+	353.20442	178.4
[M+Na]+	375.18636	184.8
[M-H]-	351.18986	181.2
[M+NH4]+	370.23096	187.5
[M+K]+	391.16030	182.6
[M+H-H2O]+	335.19440	168.9
[M+HCOO]-	397.19534	197.5
[M+CH3COO]-	411.21099	222.3
[M+Na-2H]-	373.17181	179.9
[M]+	352.19659	178.6
[M]-	352.19769	178.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

353.20442

178.4

[M+Na]+

375.18636

184.8

[M-H]-

351.18986

181.2

[M+NH4]+

370.23096

187.5

[M+K]+

391.16030

182.6

[M+H-H2O]+

335.19440

168.9

[M+HCOO]-

397.19534

197.5

[M+CH3COO]-

411.21099

222.3

[M+Na-2H]-

373.17181

179.9

[M]+

352.19659

178.6

[M]-

352.19769

178.6

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

Mhzpa

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe