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 195.3
[M+Na]+ 441.07430 205.3
[M-H]- 417.07780 200.0
[M+NH4]+ 436.11890 206.4
[M+K]+ 457.04824 197.3
[M+H-H2O]+ 401.08234 187.6
[M+HCOO]- 463.08328 205.5
[M+CH3COO]- 477.09893 225.5
[M+Na-2H]- 439.05975 196.3
[M]+ 418.08453 201.8
[M]- 418.08563 201.8
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.