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
6
Annotation Hits

489
References

28115
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 170.3
[M+Na]+ 317.19882 181.8
[M+NH4]+ 312.24342 179.0
[M+K]+ 333.17276 174.8
[M-H]- 293.20232 174.5
[M+Na-2H]- 315.18427 176.6
[M]+ 294.20905 173.3
[M]- 294.21015 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe