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	214.6
[M+Na]+	469.29379	214.7
[M-H]-	445.29729	219.1
[M+NH4]+	464.33839	220.9
[M+K]+	485.26773	210.6
[M+H-H2O]+	429.30183	200.5
[M+HCOO]-	491.30277	220.5
[M+CH3COO]-	505.31842	217.8
[M+Na-2H]-	467.27924	213.3
[M]+	446.30402	201.9
[M]-	446.30512	201.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.31185

214.6

[M+Na]+

469.29379

214.7

[M-H]-

445.29729

219.1

[M+NH4]+

464.33839

220.9

[M+K]+

485.26773

210.6

[M+H-H2O]+

429.30183

200.5

[M+HCOO]-

491.30277

220.5

[M+CH3COO]-

505.31842

217.8

[M+Na-2H]-

467.27924

213.3

[M]+

446.30402

201.9

[M]-

446.30512

201.9

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