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]+ 293.20122 169.2
[M+Na]+ 315.18316 181.6
[M+NH4]+ 310.22776 178.0
[M+K]+ 331.15710 174.3
[M-H]- 291.18666 173.6
[M+Na-2H]- 313.16861 176.3
[M]+ 292.19339 172.4
[M]- 292.19449 172.4
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.