PubChemLite - Mosapramine (C28H35ClN4O)

Structural Information

Molecular Formula

SMILES

C1CCN2C(C1)NC(=O)C23CCN(CC3)CCCN4C5=CC=CC=C5CCC6=C4C=C(C=C6)Cl

InChI

InChI=1S/C28H35ClN4O/c29-23-12-11-22-10-9-21-6-1-2-7-24(21)32(25(22)20-23)16-5-15-31-18-13-28(14-19-31)27(34)30-26-8-3-4-17-33(26)28/h1-2,6-7,11-12,20,26H,3-5,8-10,13-19H2,(H,30,34)

InChIKey

PXUIZULXJVRBPC-UHFFFAOYSA-N

Compound name

1'-[3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]spiro[1,5,6,7,8,8a-hexahydroimidazo[1,2-a]pyridine-3,4'-piperidine]-2-one

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]+	479.25722	221.1
[M+Na]+	501.23916	226.2
[M-H]-	477.24266	224.2
[M+NH4]+	496.28376	229.4
[M+K]+	517.21310	218.0
[M+H-H2O]+	461.24720	206.1
[M+HCOO]-	523.24814	219.9
[M+CH3COO]-	537.26379	224.4
[M+Na-2H]-	499.22461	217.2
[M]+	478.24939	211.0
[M]-	478.25049	211.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

479.25722

221.1

[M+Na]+

501.23916

226.2

[M-H]-

477.24266

224.2

[M+NH4]+

496.28376

229.4

[M+K]+

517.21310

218.0

[M+H-H2O]+

461.24720

206.1

[M+HCOO]-

523.24814

219.9

[M+CH3COO]-

537.26379

224.4

[M+Na-2H]-

499.22461

217.2

[M]+

478.24939

211.0

[M]-

478.25049

211.0

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

Mosapramine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe