PubChemLite - 130908-36-0 (C34H40ClN5)

Structural Information

Molecular Formula

SMILES

C1CN(C2(CCN(CC2)CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4)CCN6CCN(CC6)C7=CC(=CC=C7)Cl

InChI

InChI=1S/C34H40ClN5/c35-28-9-6-10-29(25-28)39-22-19-37(20-23-39)21-24-40-16-13-31-30-11-4-5-12-32(30)36-33(31)34(40)14-17-38(18-15-34)26-27-7-2-1-3-8-27/h1-12,25,36H,13-24,26H2

InChIKey

HRVNRPHAXMKWKX-UHFFFAOYSA-N

Compound name

1'-benzyl-2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]

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]+	554.30452	238.6
[M+Na]+	576.28646	241.4
[M-H]-	552.28996	243.4
[M+NH4]+	571.33106	240.3
[M+K]+	592.26040	228.9
[M+H-H2O]+	536.29450	219.3
[M+HCOO]-	598.29544	236.3
[M+CH3COO]-	612.31109	239.7
[M+Na-2H]-	574.27191	233.6
[M]+	553.29669	229.7
[M]-	553.29779	229.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

554.30452

238.6

[M+Na]+

576.28646

241.4

[M-H]-

552.28996

243.4

[M+NH4]+

571.33106

240.3

[M+K]+

592.26040

228.9

[M+H-H2O]+

536.29450

219.3

[M+HCOO]-

598.29544

236.3

[M+CH3COO]-

612.31109

239.7

[M+Na-2H]-

574.27191

233.6

[M]+

553.29669

229.7

[M]-

553.29779

229.7

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

130908-36-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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