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 164.3
[M+Na]+ 307.09725 174.5
[M-H]- 283.10075 169.3
[M+NH4]+ 302.14185 181.3
[M+K]+ 323.07119 171.9
[M+H-H2O]+ 267.10529 158.1
[M+HCOO]- 329.10623 180.3
[M+CH3COO]- 343.12188 175.9
[M+Na-2H]- 305.08270 170.3
[M]+ 284.10748 164.1
[M]- 284.10858 164.1
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.