CID 162345532

Ns00133098

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O

SMILES

C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C=CC=C3Cl

InChI

InChI=1S/C15H11ClN2O/c16-12-5-3-7-14-11(12)9-8-10-4-1-2-6-13(10)18(14)15(17)19/h1-9H,(H2,17,19)

InChIKey

UHHDRYAKFFLBNE-UHFFFAOYSA-N

Compound name

4-chlorobenzo[b][1]benzazepine-11-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.056 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.063276	156.7
[M+Na]+	293.045218	166.9
[M-H]-	269.048724	162.0
[M+NH4]+	288.089823	174.0
[M+K]+	309.019158	165.4
[M+H-H2O]+	253.053260	151.0
[M+HCOO]-	315.054201	173.0
[M+CH3COO]-	329.069851	168.9
[M+Na-2H]-	291.030666	163.6
[M]+	270.05545142	155.7
[M]-	270.05654858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.