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]+ 337.15468 180.1
[M+Na]+ 359.13662 189.5
[M-H]- 335.14012 186.0
[M+NH4]+ 354.18122 193.0
[M+K]+ 375.11056 184.0
[M+H-H2O]+ 319.14466 171.2
[M+HCOO]- 381.14560 200.1
[M+CH3COO]- 395.16125 215.3
[M+Na-2H]- 357.12207 182.6
[M]+ 336.14685 182.4
[M]- 336.14795 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.