CID 724189

N-(2-methylphenyl)-2-oxo-2h-chromene-3-carboxamide

Structural Information

Molecular Formula
C17H13NO3
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C17H13NO3/c1-11-6-2-4-8-14(11)18-16(19)13-10-12-7-3-5-9-15(12)21-17(13)20/h2-10H,1H3,(H,18,19)
InChIKey
DJKXRXIFWJQHTK-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.08954 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.096816 161.7
[M+Na]+ 302.078758 170.6
[M-H]- 278.082264 170.6
[M+NH4]+ 297.123363 177.0
[M+K]+ 318.052698 167.5
[M+H-H2O]+ 262.086800 153.5
[M+HCOO]- 324.087741 184.9
[M+CH3COO]- 338.103391 202.2
[M+Na-2H]- 300.064206 169.1
[M]+ 279.08899142 163.8
[M]- 279.09008858 163.8
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.