CID 48126

Cianopramine

Structural Information

Molecular Formula
C20H23N3
SMILES
CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)C#N
InChI
InChI=1S/C20H23N3/c1-22(2)12-5-13-23-19-7-4-3-6-17(19)10-11-18-9-8-16(15-21)14-20(18)23/h3-4,6-9,14H,5,10-13H2,1-2H3
InChIKey
LQXYCDLHSKICDY-UHFFFAOYSA-N
Compound name
11-[3-(dimethylamino)propyl]-5,6-dihydrobenzo[b][1]benzazepine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

59
References

851
Patents

305.1892 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.196476 174.3
[M+Na]+ 328.178418 182.5
[M-H]- 304.181924 178.8
[M+NH4]+ 323.223023 188.0
[M+K]+ 344.152358 178.9
[M+H-H2O]+ 288.186460 160.9
[M+HCOO]- 350.187401 189.8
[M+CH3COO]- 364.203051 183.0
[M+Na-2H]- 326.163866 178.3
[M]+ 305.18865142 168.3
[M]- 305.18974858 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

patents stripe