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
1
Annotation Hits

2
References

507
Patents

294.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 168.4
[M+Na]+ 317.16244 174.7
[M-H]- 293.16594 174.7
[M+NH4]+ 312.20704 184.4
[M+K]+ 333.13638 174.6
[M+H-H2O]+ 277.17048 161.4
[M+HCOO]- 339.17142 188.0
[M+CH3COO]- 353.18707 179.3
[M+Na-2H]- 315.14789 173.9
[M]+ 294.17267 167.8
[M]- 294.17377 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.