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]+ 251.154276 157.7
[M+Na]+ 273.136218 162.6
[M-H]- 249.139724 164.4
[M+NH4]+ 268.180823 173.0
[M+K]+ 289.110158 161.7
[M+H-H2O]+ 233.144260 150.2
[M+HCOO]- 295.145201 178.6
[M+CH3COO]- 309.160851 168.5
[M+Na-2H]- 271.121666 165.5
[M]+ 250.14645142 152.5
[M]- 250.14754858 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.