CID 54684068

N-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-1-propyl-1,2-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C21H22N2O3
SMILES
CCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=C(C=C3)C)C)O
InChI
InChI=1S/C21H22N2O3/c1-4-11-23-17-8-6-5-7-15(17)19(24)18(21(23)26)20(25)22-16-10-9-13(2)12-14(16)3/h5-10,12,24H,4,11H2,1-3H3,(H,22,25)
InChIKey
SKSSAVMYONNQNN-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 185.0
[M+Na]+ 373.15228 200.0
[M+NH4]+ 368.19688 191.7
[M+K]+ 389.12622 192.3
[M-H]- 349.15578 189.2
[M+Na-2H]- 371.13773 191.6
[M]+ 350.16251 188.4
[M]- 350.16361 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.