CID 3068990

Brn 5754946

Structural Information

Molecular Formula
C17H17ClN2
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=CC3=CC=CC=C31)CCN
InChI
InChI=1S/C17H17ClN2/c1-20-16-5-3-2-4-13(16)10-12(8-9-19)15-11-14(18)6-7-17(15)20/h2-7,10-11H,8-9,19H2,1H3
InChIKey
WVBDFLOBTAFISN-UHFFFAOYSA-N
Compound name
2-(3-chloro-11-methylbenzo[b][1]benzazepin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.10803 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.11531 162.7
[M+Na]+ 307.09725 177.0
[M+NH4]+ 302.14185 171.9
[M+K]+ 323.07119 168.9
[M-H]- 283.10075 167.0
[M+Na-2H]- 305.08270 169.8
[M]+ 284.10748 166.5
[M]- 284.10858 166.5
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.