CID 54684072

303093-26-7

Structural Information

Molecular Formula
C21H20Cl2N2O3
SMILES
CCCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C21H20Cl2N2O3/c1-2-3-6-11-25-17-8-5-4-7-14(17)19(26)18(21(25)28)20(27)24-16-10-9-13(22)12-15(16)23/h4-5,7-10,12,26H,2-3,6,11H2,1H3,(H,24,27)
InChIKey
CSOKFSLPOUEBFK-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.08508 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09236 196.6
[M+Na]+ 441.07430 212.8
[M+NH4]+ 436.11890 203.6
[M+K]+ 457.04824 203.4
[M-H]- 417.07780 200.6
[M+Na-2H]- 439.05975 203.0
[M]+ 418.08453 200.7
[M]- 418.08563 200.7
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.