CID 28424

Ketimipramine

Structural Information

Molecular Formula

C₁₉H₂₂N₂O

SMILES

CN(C)CCCN1C2=CC=CC=C2CC(=O)C3=CC=CC=C31

InChI

InChI=1S/C19H22N2O/c1-20(2)12-7-13-21-17-10-5-3-8-15(17)14-19(22)16-9-4-6-11-18(16)21/h3-6,8-11H,7,12-14H2,1-2H3

InChIKey

PXHIRIWYXDUSMR-UHFFFAOYSA-N

Compound name

11-[3-(dimethylamino)propyl]-6H-benzo[b][1]benzazepin-5-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 513
Patents: 294.17322 Da
Monoisotopic Mass: 3.4
XlogP (predicted)

Profile

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]+	295.180496	168.4
[M+Na]+	317.162438	174.7
[M-H]-	293.165944	174.7
[M+NH4]+	312.207043	184.4
[M+K]+	333.136378	174.6
[M+H-H2O]+	277.170480	161.4
[M+HCOO]-	339.171421	188.0
[M+CH3COO]-	353.187071	179.3
[M+Na-2H]-	315.147886	173.9
[M]+	294.17267142	167.8
[M]-	294.17376858	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe