PubChemLite - 130908-34-8 (C29H36N4O)

Structural Information

Molecular Formula

SMILES

CC(N1CCCCC1)(N2C=CC3=C(C24CCN(CC4)CC5=CC=CC=C5)NC6=CC=CC=C36)O

InChI

InChI=1S/C29H36N4O/c1-28(34,32-17-8-3-9-18-32)33-19-14-25-24-12-6-7-13-26(24)30-27(25)29(33)15-20-31(21-16-29)22-23-10-4-2-5-11-23/h2,4-7,10-14,19,30,34H,3,8-9,15-18,20-22H2,1H3

InChIKey

WVBJGULOQLOEDF-UHFFFAOYSA-N

Compound name

1-(1'-benzylspiro[9H-pyrido[3,4-b]indole-1,4'-piperidine]-2-yl)-1-piperidin-1-ylethanol

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]+	457.29618	215.7
[M+Na]+	479.27812	218.2
[M-H]-	455.28162	218.9
[M+NH4]+	474.32272	221.8
[M+K]+	495.25206	208.6
[M+H-H2O]+	439.28616	201.2
[M+HCOO]-	501.28710	218.7
[M+CH3COO]-	515.30275	219.0
[M+Na-2H]-	477.26357	215.8
[M]+	456.28835	205.3
[M]-	456.28945	205.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.29618

215.7

[M+Na]+

479.27812

218.2

[M-H]-

455.28162

218.9

[M+NH4]+

474.32272

221.8

[M+K]+

495.25206

208.6

[M+H-H2O]+

439.28616

201.2

[M+HCOO]-

501.28710

218.7

[M+CH3COO]-

515.30275

219.0

[M+Na-2H]-

477.26357

215.8

[M]+

456.28835

205.3

[M]-

456.28945

205.3

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

130908-34-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe