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]+ 265.16994 161.5
[M+Na]+ 287.15188 168.9
[M-H]- 263.15538 166.9
[M+NH4]+ 282.19648 178.3
[M+K]+ 303.12582 167.6
[M+H-H2O]+ 247.15992 155.0
[M+HCOO]- 309.16086 182.0
[M+CH3COO]- 323.17651 172.9
[M+Na-2H]- 285.13733 169.1
[M]+ 264.16211 160.1
[M]- 264.16321 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.