CID 724194

N-(2,3-dimethylphenyl)-2-oxo-2h-chromene-3-carboxamide

Structural Information

Molecular Formula
C18H15NO3
SMILES
CC1=C(C(=CC=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O)C
InChI
InChI=1S/C18H15NO3/c1-11-6-5-8-15(12(11)2)19-17(20)14-10-13-7-3-4-9-16(13)22-18(14)21/h3-10H,1-2H3,(H,19,20)
InChIKey
KOCLPGRVWVWXQW-UHFFFAOYSA-N
Compound name
N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

293.1052 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11248 166.6
[M+Na]+ 316.09442 175.9
[M-H]- 292.09792 175.7
[M+NH4]+ 311.13902 181.6
[M+K]+ 332.06836 172.7
[M+H-H2O]+ 276.10246 158.3
[M+HCOO]- 338.10340 189.4
[M+CH3COO]- 352.11905 206.5
[M+Na-2H]- 314.07987 172.7
[M]+ 293.10465 169.5
[M]- 293.10575 169.5
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.