CID 129662329

Cyanoimipramine

Structural Information

Molecular Formula
C20H23N3
SMILES
CN(C)CCCN1C2=CC=CC=C2CC(C3=CC=CC=C31)C#N
InChI
InChI=1S/C20H23N3/c1-22(2)12-7-13-23-19-10-5-3-8-16(19)14-17(15-21)18-9-4-6-11-20(18)23/h3-6,8-11,17H,7,12-14H2,1-2H3
InChIKey
WOWFZCWPCPLCDD-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

59
References

0
Patents

305.1892 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.19648 177.9
[M+Na]+ 328.17842 189.1
[M+NH4]+ 323.22302 182.9
[M+K]+ 344.15236 178.7
[M-H]- 304.18192 174.9
[M+Na-2H]- 326.16387 180.9
[M]+ 305.18865 178.1
[M]- 305.18975 178.1
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

No patent data available for this compound.