CID 135417139

28717-70-6

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

0
Patents

250.147 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 158.2
[M+Na]+ 273.13622 163.3
[M-H]- 249.13972 164.9
[M+NH4]+ 268.18082 173.6
[M+K]+ 289.11016 162.0
[M+H-H2O]+ 233.14426 150.8
[M+HCOO]- 295.14520 177.9
[M+CH3COO]- 309.16085 168.9
[M+Na-2H]- 271.12167 164.3
[M]+ 250.14645 151.3
[M]- 250.14755 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.