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]+ 265.16994 162.1
[M+Na]+ 287.15188 166.6
[M-H]- 263.15538 168.5
[M+NH4]+ 282.19648 176.9
[M+K]+ 303.12582 165.5
[M+H-H2O]+ 247.15992 154.4
[M+HCOO]- 309.16086 182.7
[M+CH3COO]- 323.17651 172.5
[M+Na-2H]- 285.13733 169.4
[M]+ 264.16211 157.1
[M]- 264.16321 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.