CID 207662

7-chloro-10-(2-(methylamino)ethyl)-5-methyl-5h-dibenz(b,f)azepine fumarate

Structural Information

Molecular Formula
C18H19ClN2
SMILES
CNCCC1=CC2=CC=CC=C2N(C3=C1C=CC(=C3)Cl)C
InChI
InChI=1S/C18H19ClN2/c1-20-10-9-13-11-14-5-3-4-6-17(14)21(2)18-12-15(19)7-8-16(13)18/h3-8,11-12,20H,9-10H2,1-2H3
InChIKey
WTZXUHFNIXTVMJ-UHFFFAOYSA-N
Compound name
2-(2-chloro-11-methylbenzo[b][1]benzazepin-5-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1237 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13098 168.5
[M+Na]+ 321.11292 178.3
[M-H]- 297.11642 173.8
[M+NH4]+ 316.15752 185.2
[M+K]+ 337.08686 175.6
[M+H-H2O]+ 281.12096 162.0
[M+HCOO]- 343.12190 184.7
[M+CH3COO]- 357.13755 179.9
[M+Na-2H]- 319.09837 174.9
[M]+ 298.12315 169.5
[M]- 298.12425 169.5
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

patents stripe