CID 599290

2-oxo-n-p-tolyl-2h-chromene-3-carboxamide

Structural Information

Molecular Formula
C17H13NO3
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C17H13NO3/c1-11-6-8-13(9-7-11)18-16(19)14-10-12-4-2-3-5-15(12)21-17(14)20/h2-10H,1H3,(H,18,19)
InChIKey
RYYPYTSGWXNKDU-UHFFFAOYSA-N
Compound name
N-(4-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]+ 280.09682 161.7
[M+Na]+ 302.07876 170.6
[M-H]- 278.08226 170.6
[M+NH4]+ 297.12336 177.0
[M+K]+ 318.05270 167.5
[M+H-H2O]+ 262.08680 153.5
[M+HCOO]- 324.08774 184.9
[M+CH3COO]- 338.10339 202.2
[M+Na-2H]- 300.06421 169.1
[M]+ 279.08899 163.8
[M]- 279.09009 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.