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

29340
Patents

294.2096 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.216876 170.0
[M+Na]+ 317.198818 174.5
[M-H]- 293.202324 175.7
[M+NH4]+ 312.243423 185.7
[M+K]+ 333.172758 174.5
[M+H-H2O]+ 277.206860 162.8
[M+HCOO]- 339.207801 187.9
[M+CH3COO]- 353.223451 180.1
[M+Na-2H]- 315.184266 174.5
[M]+ 294.20905142 168.0
[M]- 294.21014858 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

literature stripe

Patent stripe

patents stripe