CID 6420913

Hydroxyclomipramine

Structural Information

Molecular Formula

C₁₉H₂₃ClN₂O

SMILES

CN(C)CCCN1C2=CC=CC=C2CC(C3=C1C=C(C=C3)Cl)O

InChI

InChI=1S/C19H23ClN2O/c1-21(2)10-5-11-22-17-7-4-3-6-14(17)12-19(23)16-9-8-15(20)13-18(16)22/h3-4,6-9,13,19,23H,5,10-12H2,1-2H3

InChIKey

SATHMWNGUPSXIE-UHFFFAOYSA-N

Compound name

2-chloro-11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepin-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 330.1499 Da
Monoisotopic Mass: 4.1
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]+	331.157176	176.1
[M+Na]+	353.139118	184.0
[M-H]-	329.142624	180.9
[M+NH4]+	348.183723	191.3
[M+K]+	369.113058	182.6
[M+H-H2O]+	313.147160	169.3
[M+HCOO]-	375.148101	189.9
[M+CH3COO]-	389.163751	186.3
[M+Na-2H]-	351.124566	180.1
[M]+	330.14935142	176.8
[M]-	330.15044858	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.