PubChemLite - 184691-73-4 (C25H28ClN5O2)

Structural Information

Molecular Formula

SMILES

C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)C(=O)NCCCN4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C25H28ClN5O2/c26-18-3-1-4-19(16-18)31-13-11-30(12-14-31)10-2-8-27-24(32)17-5-6-22-21(15-17)20-7-9-28-25(33)23(20)29-22/h1,3-6,15-16,29H,2,7-14H2,(H,27,32)(H,28,33)

InChIKey

AYSQAYJZYAYYRQ-UHFFFAOYSA-N

Compound name

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carboxamide

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]+	466.20043	210.7
[M+Na]+	488.18237	215.4
[M-H]-	464.18587	212.9
[M+NH4]+	483.22697	215.7
[M+K]+	504.15631	205.5
[M+H-H2O]+	448.19041	198.6
[M+HCOO]-	510.19135	214.6
[M+CH3COO]-	524.20700	215.2
[M+Na-2H]-	486.16782	209.2
[M]+	465.19260	206.3
[M]-	465.19370	206.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.20043

210.7

[M+Na]+

488.18237

215.4

[M-H]-

464.18587

212.9

[M+NH4]+

483.22697

215.7

[M+K]+

504.15631

205.5

[M+H-H2O]+

448.19041

198.6

[M+HCOO]-

510.19135

214.6

[M+CH3COO]-

524.20700

215.2

[M+Na-2H]-

486.16782

209.2

[M]+

465.19260

206.3

[M]-

465.19370

206.3

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

184691-73-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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