PubChemLite - 130880-61-4 (C34H39N5O)

Structural Information

Molecular Formula

SMILES

C1CN(C2(CCN(CC2)CC3=CC=CC=C3)C4=C1C5=CC=CC=C5N4)C(=O)CN6CCN(CC6)C7=CC=CC=C7

InChI

InChI=1S/C34H39N5O/c40-32(26-37-21-23-38(24-22-37)28-11-5-2-6-12-28)39-18-15-30-29-13-7-8-14-31(29)35-33(30)34(39)16-19-36(20-17-34)25-27-9-3-1-4-10-27/h1-14,35H,15-26H2

InChIKey

GGYOIXHXKHPUKA-UHFFFAOYSA-N

Compound name

1-(1'-benzylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone

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]+	534.32278	232.9
[M+Na]+	556.30472	233.8
[M-H]-	532.30822	238.0
[M+NH4]+	551.34932	234.0
[M+K]+	572.27866	222.9
[M+H-H2O]+	516.31276	214.4
[M+HCOO]-	578.31370	234.5
[M+CH3COO]-	592.32935	234.0
[M+Na-2H]-	554.29017	228.7
[M]+	533.31495	221.3
[M]-	533.31605	221.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

534.32278

232.9

[M+Na]+

556.30472

233.8

[M-H]-

532.30822

238.0

[M+NH4]+

551.34932

234.0

[M+K]+

572.27866

222.9

[M+H-H2O]+

516.31276

214.4

[M+HCOO]-

578.31370

234.5

[M+CH3COO]-

592.32935

234.0

[M+Na-2H]-

554.29017

228.7

[M]+

533.31495

221.3

[M]-

533.31605

221.3

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

130880-61-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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