CID 3696

Imipramine

Structural Information

Molecular Formula

C₁₉H₂₄N₂

SMILES

CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31

InChI

InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3

InChIKey

BCGWQEUPMDMJNV-UHFFFAOYSA-N

Compound name

3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 10549
References: 76313
Patents: 280.19394 Da
Monoisotopic Mass: 4.8
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]+	281.20122	166.0
[M+Na]+	303.18316	171.1
[M-H]-	279.18666	171.8
[M+NH4]+	298.22776	182.3
[M+K]+	319.15710	170.8
[M+H-H2O]+	263.19120	158.8
[M+HCOO]-	325.19214	185.2
[M+CH3COO]-	339.20779	176.6
[M+Na-2H]-	301.16861	172.0
[M]+	280.19339	164.2
[M]-	280.19449	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe