CID 160632

Desmethyltrimipramine

Structural Information

Molecular Formula
C19H24N2
SMILES
CC(CNC)CN1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C19H24N2/c1-15(13-20-2)14-21-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)21/h3-10,15,20H,11-14H2,1-2H3
InChIKey
FUEUKSCRQNPXKS-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

21
Patents

280.19394 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 166.1
[M+Na]+ 303.18316 170.9
[M-H]- 279.18666 170.6
[M+NH4]+ 298.22776 181.8
[M+K]+ 319.15710 169.9
[M+H-H2O]+ 263.19120 159.3
[M+HCOO]- 325.19214 183.9
[M+CH3COO]- 339.20779 176.1
[M+Na-2H]- 301.16861 171.8
[M]+ 280.19339 162.7
[M]- 280.19449 162.7
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