CID 54684068

303093-22-3

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 184.6
[M+Na]+ 373.15228 193.6
[M-H]- 349.15578 190.4
[M+NH4]+ 368.19688 197.0
[M+K]+ 389.12622 187.9
[M+H-H2O]+ 333.16032 175.5
[M+HCOO]- 395.16126 204.3
[M+CH3COO]- 409.17691 218.2
[M+Na-2H]- 371.13773 186.6
[M]+ 350.16251 187.3
[M]- 350.16361 187.3
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.