CID 363477

Nsc628388

Structural Information

Molecular Formula
C16H9ClN2O3
SMILES
C1=CC2=C(C(=CC(=O)C2=O)NC(=O)C3=CC=C(C=C3)Cl)N=C1
InChI
InChI=1S/C16H9ClN2O3/c17-10-5-3-9(4-6-10)16(22)19-12-8-13(20)15(21)11-2-1-7-18-14(11)12/h1-8H,(H,19,22)
InChIKey
FERLOYVECJKIGX-UHFFFAOYSA-N
Compound name
4-chloro-N-(5,6-dioxoquinolin-8-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.03018 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.03746 166.7
[M+Na]+ 335.01940 176.7
[M-H]- 311.02290 173.4
[M+NH4]+ 330.06400 181.5
[M+K]+ 350.99334 170.7
[M+H-H2O]+ 295.02744 158.7
[M+HCOO]- 357.02838 184.0
[M+CH3COO]- 371.04403 206.2
[M+Na-2H]- 333.00485 172.0
[M]+ 312.02963 169.0
[M]- 312.03073 169.0
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.