CID 3078580

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

Structural Information

Molecular Formula
C18H20N2
SMILES
C1CN=C(CC2=CC=CC=C21)NCCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2/c1-2-6-15(7-3-1)10-12-19-18-14-17-9-5-4-8-16(17)11-13-20-18/h1-9H,10-14H2,(H,19,20)
InChIKey
RHJIHWMTBAGQAE-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-2,5-dihydro-1H-3-benzazepin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.16266 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.169936 162.1
[M+Na]+ 287.151878 166.6
[M-H]- 263.155384 168.5
[M+NH4]+ 282.196483 176.9
[M+K]+ 303.125818 165.5
[M+H-H2O]+ 247.159920 154.4
[M+HCOO]- 309.160861 182.7
[M+CH3COO]- 323.176511 172.5
[M+Na-2H]- 285.137326 169.4
[M]+ 264.16211142 157.1
[M]- 264.16320858 157.1
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.