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]+ 300.042176 164.1
[M+Na]+ 322.024118 174.2
[M-H]- 298.027624 172.9
[M+NH4]+ 317.068723 179.5
[M+K]+ 337.998058 169.7
[M+H-H2O]+ 282.032160 156.8
[M+HCOO]- 344.033101 183.1
[M+CH3COO]- 358.048751 176.9
[M+Na-2H]- 320.009566 171.5
[M]+ 299.03435142 168.3
[M]- 299.03544858 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.