CID 54683120

300716-25-0

Structural Information

Molecular Formula
C20H19ClN2O3
SMILES
CCCCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C20H19ClN2O3/c1-2-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)22-14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,25)
InChIKey
XEMZVWWMAOIQGV-UHFFFAOYSA-N
Compound name
1-butyl-N-(4-chlorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.10843 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11571 185.8
[M+Na]+ 393.09765 195.1
[M-H]- 369.10115 191.1
[M+NH4]+ 388.14225 198.0
[M+K]+ 409.07159 188.0
[M+H-H2O]+ 353.10569 177.4
[M+HCOO]- 415.10663 201.3
[M+CH3COO]- 429.12228 217.4
[M+Na-2H]- 391.08310 188.7
[M]+ 370.10788 190.1
[M]- 370.10898 190.1
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.