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
8
Annotation Hits

5931
References

50463
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 162.5
[M+Na]+ 289.16750 174.5
[M+NH4]+ 284.21210 171.4
[M+K]+ 305.14144 166.7
[M-H]- 265.17100 166.6
[M+Na-2H]- 287.15295 169.3
[M]+ 266.17773 165.5
[M]- 266.17883 165.5
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