CID 168912

Amezepine

Structural Information

Molecular Formula
C18H20N2
SMILES
CNCCC1=CC2=CC=CC=C2N(C3=CC=CC=C31)C
InChI
InChI=1S/C18H20N2/c1-19-12-11-14-13-15-7-3-5-9-17(15)20(2)18-10-6-4-8-16(14)18/h3-10,13,19H,11-12H2,1-2H3
InChIKey
MHBXHCOUWYQAFZ-UHFFFAOYSA-N
Compound name
N-methyl-2-(11-methylbenzo[b][1]benzazepin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

264.16266 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 161.5
[M+Na]+ 287.151878 168.9
[M-H]- 263.155384 166.9
[M+NH4]+ 282.196483 178.3
[M+K]+ 303.125818 167.6
[M+H-H2O]+ 247.159920 155.0
[M+HCOO]- 309.160861 182.0
[M+CH3COO]- 323.176511 172.9
[M+Na-2H]- 285.137326 169.1
[M]+ 264.16211142 160.1
[M]- 264.16320858 160.1
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

patents stripe