CID 162345548

Ns00133102

Structural Information

Molecular Formula
C15H10Cl2N2O2
SMILES
C1=CC=C2C(=C1)C(C(=O)C3=C(N2C(=O)N)C=CC(=C3)Cl)Cl
InChI
InChI=1S/C15H10Cl2N2O2/c16-8-5-6-12-10(7-8)14(20)13(17)9-3-1-2-4-11(9)19(12)15(18)21/h1-7,13H,(H2,18,21)
InChIKey
USXFZCZEQRSRPF-UHFFFAOYSA-N
Compound name
3,6-dichloro-5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.01193 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.019206 165.6
[M+Na]+ 343.001148 177.6
[M-H]- 319.004654 170.3
[M+NH4]+ 338.045753 181.8
[M+K]+ 358.975088 175.8
[M+H-H2O]+ 303.009190 160.0
[M+HCOO]- 365.010131 176.2
[M+CH3COO]- 379.025781 177.1
[M+Na-2H]- 340.986596 169.7
[M]+ 320.01138142 165.9
[M]- 320.01247858 165.9
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.