PubChemLite - 184691-71-2 (C25H29N5O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H29N5O2/c31-24(18-7-8-22-21(17-18)20-9-11-27-25(32)23(20)28-22)26-10-4-12-29-13-15-30(16-14-29)19-5-2-1-3-6-19/h1-3,5-8,17,28H,4,9-16H2,(H,26,31)(H,27,32)

InChIKey

NYWVACOXKGYZLK-UHFFFAOYSA-N

Compound name

1-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-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]+	432.23940	203.2
[M+Na]+	454.22134	206.2
[M-H]-	430.22484	205.3
[M+NH4]+	449.26594	208.3
[M+K]+	470.19528	197.2
[M+H-H2O]+	414.22938	190.7
[M+HCOO]-	476.23032	211.7
[M+CH3COO]-	490.24597	207.8
[M+Na-2H]-	452.20679	203.0
[M]+	431.23157	195.9
[M]-	431.23267	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

432.23940

203.2

[M+Na]+

454.22134

206.2

[M-H]-

430.22484

205.3

[M+NH4]+

449.26594

208.3

[M+K]+

470.19528

197.2

[M+H-H2O]+

414.22938

190.7

[M+HCOO]-

476.23032

211.7

[M+CH3COO]-

490.24597

207.8

[M+Na-2H]-

452.20679

203.0

[M]+

431.23157

195.9

[M]-

431.23267

195.9

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

184691-71-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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