CID 152350567

Ns00133099

Structural Information

Molecular Formula

C₁₅H₁₁ClN₂O

SMILES

C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)NCl

InChI

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

InChIKey

WZHZHLMYBICSJJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 270.056 Da
Monoisotopic Mass: 3.3
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	156.3
[M+Na]+	293.045218	165.7
[M-H]-	269.048724	161.7
[M+NH4]+	288.089823	173.5
[M+K]+	309.019158	164.2
[M+H-H2O]+	253.053260	150.3
[M+HCOO]-	315.054201	173.2
[M+CH3COO]-	329.069851	168.3
[M+Na-2H]-	291.030666	164.9
[M]+	270.05545142	155.7
[M]-	270.05654858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe