CID 193590

N-acetyldesipramine

Structural Information

Molecular Formula
C20H24N2O
SMILES
CC(=O)N(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C20H24N2O/c1-16(23)21(2)14-7-15-22-19-10-5-3-8-17(19)12-13-18-9-4-6-11-20(18)22/h3-6,8-11H,7,12-15H2,1-2H3
InChIKey
CNKJDYQMSWTPRH-UHFFFAOYSA-N
Compound name
N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

308.18887 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.196146 172.5
[M+Na]+ 331.178088 177.3
[M-H]- 307.181594 178.3
[M+NH4]+ 326.222693 187.6
[M+K]+ 347.152028 177.5
[M+H-H2O]+ 291.186130 165.3
[M+HCOO]- 353.187071 190.9
[M+CH3COO]- 367.202721 214.1
[M+Na-2H]- 329.163536 177.1
[M]+ 308.18832142 171.2
[M]- 308.18941858 171.2
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