PubChemLite - Carpipramine (C28H38N4O)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C2(CCN(CC2)CCCN3C4=CC=CC=C4CCC5=CC=CC=C53)C(=O)N

InChI

InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)

InChIKey

NWPJLRSCSQHPJV-UHFFFAOYSA-N

Compound name

1-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ylpiperidine-4-carboxamide

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]+	447.31185	216.2
[M+Na]+	469.29379	225.5
[M+NH4]+	464.33839	223.8
[M+K]+	485.26773	216.0
[M-H]-	445.29729	221.4
[M+Na-2H]-	467.27924	221.4
[M]+	446.30402	219.0
[M]-	446.30512	219.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.31185

216.2

[M+Na]+

469.29379

225.5

[M+NH4]+

464.33839

223.8

[M+K]+

485.26773

216.0

[M-H]-

445.29729

221.4

[M+Na-2H]-

467.27924

221.4

[M]+

446.30402

219.0

[M]-

446.30512

219.0

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

Carpipramine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe