CID 3696

Imipramine

Structural Information

Molecular Formula
C19H24N2
SMILES
CN(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
InChIKey
BCGWQEUPMDMJNV-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

10552
References

74212
Patents

280.19394 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.20122 166.0
[M+Na]+ 303.18316 171.1
[M-H]- 279.18666 171.8
[M+NH4]+ 298.22776 182.3
[M+K]+ 319.15710 170.8
[M+H-H2O]+ 263.19120 158.8
[M+HCOO]- 325.19214 185.2
[M+CH3COO]- 339.20779 176.6
[M+Na-2H]- 301.16861 172.0
[M]+ 280.19339 164.2
[M]- 280.19449 164.2
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.