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: 5931
References: 52346
Patents: 266.17828 Da
Monoisotopic Mass: 4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe