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	231.2
[M+Na]+	542.32542	232.5
[M-H]-	518.32892	236.1
[M+NH4]+	537.37002	233.1
[M+K]+	558.29936	220.6
[M+H-H2O]+	502.33346	212.2
[M+HCOO]-	564.33440	233.5
[M+CH3COO]-	578.35005	232.5
[M+Na-2H]-	540.31087	227.5
[M]+	519.33565	219.4
[M]-	519.33675	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.34348

231.2

[M+Na]+

542.32542

232.5

[M-H]-

518.32892

236.1

[M+NH4]+

537.37002

233.1

[M+K]+

558.29936

220.6

[M+H-H2O]+

502.33346

212.2

[M+HCOO]-

564.33440

233.5

[M+CH3COO]-

578.35005

232.5

[M+Na-2H]-

540.31087

227.5

[M]+

519.33565

219.4

[M]-

519.33675

219.4

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

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