CID 54679549

300716-28-3

Structural Information

Molecular Formula
C20H18Cl2N2O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H18Cl2N2O3/c1-2-3-10-24-16-7-5-4-6-13(16)18(25)17(20(24)27)19(26)23-15-9-8-12(21)11-14(15)22/h4-9,11,25H,2-3,10H2,1H3,(H,23,26)
InChIKey
SDXCZGRCDDZSST-UHFFFAOYSA-N
Compound name
1-butyl-N-(2,4-dichlorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.06946 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.07674 190.8
[M+Na]+ 427.05868 201.3
[M-H]- 403.06218 195.7
[M+NH4]+ 422.10328 202.5
[M+K]+ 443.03262 193.5
[M+H-H2O]+ 387.06672 183.4
[M+HCOO]- 449.06766 201.3
[M+CH3COO]- 463.08331 222.7
[M+Na-2H]- 425.04413 192.3
[M]+ 404.06891 197.0
[M]- 404.07001 197.0
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.