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 174.3
[M+Na]+ 328.17842 182.5
[M-H]- 304.18192 178.8
[M+NH4]+ 323.22302 188.0
[M+K]+ 344.15236 178.9
[M+H-H2O]+ 288.18646 160.9
[M+HCOO]- 350.18740 189.8
[M+CH3COO]- 364.20305 183.0
[M+Na-2H]- 326.16387 178.3
[M]+ 305.18865 168.3
[M]- 305.18975 168.3
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.