PubChemLite - Nortopixantrone (C20H24N6O2)

Structural Information

Molecular Formula

SMILES

CNCCNC1=C2C3=C(C=C1)N(N=C3C4=C(C2=O)C=CN=C4)CCNCCO

InChI

InChI=1S/C20H24N6O2/c1-21-6-7-24-15-2-3-16-18-17(15)20(28)13-4-5-23-12-14(13)19(18)25-26(16)10-8-22-9-11-27/h2-5,12,21-22,24,27H,6-11H2,1H3

InChIKey

PMGQHDIXCJMHRO-UHFFFAOYSA-N

Compound name

14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(methylamino)ethylamino]-4,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaen-8-one

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]+	381.20336	186.9
[M+Na]+	403.18530	194.5
[M-H]-	379.18880	187.7
[M+NH4]+	398.22990	198.7
[M+K]+	419.15924	188.0
[M+H-H2O]+	363.19334	177.1
[M+HCOO]-	425.19428	205.9
[M+CH3COO]-	439.20993	195.5
[M+Na-2H]-	401.17075	194.7
[M]+	380.19553	191.4
[M]-	380.19663	191.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.20336

186.9

[M+Na]+

403.18530

194.5

[M-H]-

379.18880

187.7

[M+NH4]+

398.22990

198.7

[M+K]+

419.15924

188.0

[M+H-H2O]+

363.19334

177.1

[M+HCOO]-

425.19428

205.9

[M+CH3COO]-

439.20993

195.5

[M+Na-2H]-

401.17075

194.7

[M]+

380.19553

191.4

[M]-

380.19663

191.4

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

Nortopixantrone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe