CID 162345637

Ns00133095

Structural Information

Molecular Formula
C15H10N2O3
SMILES
C1=CC=C2C(=C1)C=CC3=C(N2C(=O)N)C(=O)C=CC3=O
InChI
InChI=1S/C15H10N2O3/c16-15(20)17-11-4-2-1-3-9(11)5-6-10-12(18)7-8-13(19)14(10)17/h1-8H,(H2,16,20)
InChIKey
YEQVOTAHWVJWEB-UHFFFAOYSA-N
Compound name
1,4-dioxobenzo[b][1]benzazepine-11-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.06915 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.076426 155.4
[M+Na]+ 289.058368 167.1
[M-H]- 265.061874 162.4
[M+NH4]+ 284.102973 172.1
[M+K]+ 305.032308 167.5
[M+H-H2O]+ 249.066410 149.7
[M+HCOO]- 311.067351 179.1
[M+CH3COO]- 325.083001 168.8
[M+Na-2H]- 287.043816 163.8
[M]+ 266.06860142 156.8
[M]- 266.06969858 156.8
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.