CID 121382

Dehydro trimipramine

Structural Information

Molecular Formula
C20H24N2
SMILES
CC(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)CN(C)C
InChI
InChI=1S/C20H24N2/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/h4-13,16H,14-15H2,1-3H3
InChIKey
RNFADUFBCJRRPS-UHFFFAOYSA-N
Compound name
3-benzo[b][1]benzazepin-11-yl-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

292.19394 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.201216 169.3
[M+Na]+ 315.183158 174.9
[M-H]- 291.186664 175.5
[M+NH4]+ 310.227763 185.2
[M+K]+ 331.157098 174.8
[M+H-H2O]+ 275.191200 162.3
[M+HCOO]- 337.192141 188.7
[M+CH3COO]- 351.207791 180.0
[M+Na-2H]- 313.168606 174.9
[M]+ 292.19339142 168.8
[M]- 292.19448858 168.8
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.