PubChemLite - 132054-05-8 (C34H41N5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C34H41N5/c1-3-9-28(10-4-1)27-37-19-16-34(17-20-37)33-31(30-13-7-8-14-32(30)35-33)15-18-39(34)26-23-36-21-24-38(25-22-36)29-11-5-2-6-12-29/h1-14,35H,15-27H2

InChIKey

HKDUSDZSIOLYHL-UHFFFAOYSA-N

Compound name

1'-benzyl-2-[2-(4-phenylpiperazin-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]+	520.34348	236.1
[M+Na]+	542.32542	251.8
[M+NH4]+	537.37002	245.2
[M+K]+	558.29936	239.7
[M-H]-	518.32892	244.6
[M+Na-2H]-	540.31087	244.9
[M]+	519.33565	241.0
[M]-	519.33675	241.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.34348

236.1

[M+Na]+

542.32542

251.8

[M+NH4]+

537.37002

245.2

[M+K]+

558.29936

239.7

[M-H]-

518.32892

244.6

[M+Na-2H]-

540.31087

244.9

[M]+

519.33565

241.0

[M]-

519.33675

241.0

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

132054-05-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe