CID 5584

Trimipramine

Structural Information

Molecular Formula

C₂₀H₂₆N₂

SMILES

CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C

InChI

InChI=1S/C20H26N2/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22/h4-11,16H,12-15H2,1-3H3

InChIKey

ZSCDBOWYZJWBIY-UHFFFAOYSA-N

Compound name

3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 491
References: 29185
Patents: 294.2096 Da
Monoisotopic Mass: 5.8
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]+	295.21688	170.0
[M+Na]+	317.19882	174.5
[M-H]-	293.20232	175.7
[M+NH4]+	312.24342	185.7
[M+K]+	333.17276	174.5
[M+H-H2O]+	277.20686	162.8
[M+HCOO]-	339.20780	187.9
[M+CH3COO]-	353.22345	180.1
[M+Na-2H]-	315.18427	174.5
[M]+	294.20905	168.0
[M]-	294.21015	168.0

Literature stripe

literature stripe

Patent stripe

patents stripe