CID 54680051

300716-21-6

Structural Information

Molecular Formula
C20H20N2O3
SMILES
CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=C(C=C3)C)C)O
InChI
InChI=1S/C20H20N2O3/c1-4-22-16-8-6-5-7-14(16)18(23)17(20(22)25)19(24)21-15-10-9-12(2)11-13(15)3/h5-11,23H,4H2,1-3H3,(H,21,24)
InChIKey
BHXQXFDXVQRDKM-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

336.1474 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.154676 180.1
[M+Na]+ 359.136618 189.5
[M-H]- 335.140124 186.0
[M+NH4]+ 354.181223 193.0
[M+K]+ 375.110558 184.0
[M+H-H2O]+ 319.144660 171.2
[M+HCOO]- 381.145601 200.1
[M+CH3COO]- 395.161251 215.3
[M+Na-2H]- 357.122066 182.6
[M]+ 336.14685142 182.4
[M]- 336.14794858 182.4
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.