CID 135417139

3h-1-benzazepine, 4,5-dihydro-2-(methylamino)-3-phenyl-, monohydrochloride

Structural Information

Molecular Formula
C17H18N2
SMILES
CN=C1C(CCC2=CC=CC=C2N1)C3=CC=CC=C3
InChI
InChI=1S/C17H18N2/c1-18-17-15(13-7-3-2-4-8-13)12-11-14-9-5-6-10-16(14)19-17/h2-10,15H,11-12H2,1H3,(H,18,19)
InChIKey
FVCPCHXBTBDXNO-UHFFFAOYSA-N
Compound name
N-methyl-3-phenyl-1,3,4,5-tetrahydro-1-benzazepin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

250.147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.154276 158.2
[M+Na]+ 273.136218 163.3
[M-H]- 249.139724 164.9
[M+NH4]+ 268.180823 173.6
[M+K]+ 289.110158 162.0
[M+H-H2O]+ 233.144260 150.8
[M+HCOO]- 295.145201 177.9
[M+CH3COO]- 309.160851 168.9
[M+Na-2H]- 271.121666 164.3
[M]+ 250.14645142 151.3
[M]- 250.14754858 151.3
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.