CID 724205

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
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

patents stripe