CID 724206

N-(4-chlorophenyl)-2-oxo-2h-chromene-3-carboxamide

Structural Information

Molecular Formula
C16H10ClNO3
SMILES
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H10ClNO3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-9H,(H,18,19)
InChIKey
RAXJGYMESDOVRB-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

299.0349 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04218 164.1
[M+Na]+ 322.02412 174.2
[M-H]- 298.02762 172.9
[M+NH4]+ 317.06872 179.5
[M+K]+ 337.99806 169.7
[M+H-H2O]+ 282.03216 156.8
[M+HCOO]- 344.03310 183.1
[M+CH3COO]- 358.04875 176.9
[M+Na-2H]- 320.00957 171.5
[M]+ 299.03435 168.3
[M]- 299.03545 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.