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

869
References

29113
Patents

294.2096 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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.