CID 2995

Desipramine

Structural Information

Molecular Formula
C18H22N2
SMILES
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
InChIKey
HCYAFALTSJYZDH-UHFFFAOYSA-N
Compound name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

5932
References

52452
Patents

266.17828 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 161.8
[M+Na]+ 289.16750 167.3
[M-H]- 265.17100 166.4
[M+NH4]+ 284.21210 178.1
[M+K]+ 305.14144 165.9
[M+H-H2O]+ 249.17554 155.0
[M+HCOO]- 311.17648 180.9
[M+CH3COO]- 325.19213 172.3
[M+Na-2H]- 287.15295 169.1
[M]+ 266.17773 158.6
[M]- 266.17883 158.6
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.