CID 162345454

Ns00133101

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1=CC=C2C(=C1)C(C(=O)C3=CC=CC=C3N2C(=O)N)Cl
InChI
InChI=1S/C15H11ClN2O2/c16-13-9-5-1-3-7-11(9)18(15(17)20)12-8-4-2-6-10(12)14(13)19/h1-8,13H,(H2,17,20)
InChIKey
QPDCZPSRSKRNMT-UHFFFAOYSA-N
Compound name
6-chloro-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0509 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.058176 160.0
[M+Na]+ 309.040118 170.1
[M-H]- 285.043624 165.3
[M+NH4]+ 304.084723 176.6
[M+K]+ 325.014058 169.0
[M+H-H2O]+ 269.048160 154.2
[M+HCOO]- 331.049101 175.2
[M+CH3COO]- 345.064751 171.8
[M+Na-2H]- 307.025566 165.3
[M]+ 286.05035142 158.6
[M]- 286.05144858 158.6
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.