CID 3078578

4,5-dihydro-n-(phenylmethyl)-1h-3-benzazepin-2-amine monohydriodide

Structural Information

Molecular Formula
C17H18N2
SMILES
C1CN=C(CC2=CC=CC=C21)NCC3=CC=CC=C3
InChI
InChI=1S/C17H18N2/c1-2-6-14(7-3-1)13-19-17-12-16-9-5-4-8-15(16)10-11-18-17/h1-9H,10-13H2,(H,18,19)
InChIKey
HUIVJBSZTSJEGQ-UHFFFAOYSA-N
Compound name
N-benzyl-2,5-dihydro-1H-3-benzazepin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.147 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15428 157.7
[M+Na]+ 273.13622 162.6
[M-H]- 249.13972 164.4
[M+NH4]+ 268.18082 173.0
[M+K]+ 289.11016 161.7
[M+H-H2O]+ 233.14426 150.2
[M+HCOO]- 295.14520 178.6
[M+CH3COO]- 309.16085 168.5
[M+Na-2H]- 271.12167 165.5
[M]+ 250.14645 152.5
[M]- 250.14755 152.5
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

No patent data available for this compound.