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]+ 371.115706 185.8
[M+Na]+ 393.097648 195.1
[M-H]- 369.101154 191.1
[M+NH4]+ 388.142253 198.0
[M+K]+ 409.071588 188.0
[M+H-H2O]+ 353.105690 177.4
[M+HCOO]- 415.106631 201.3
[M+CH3COO]- 429.122281 217.4
[M+Na-2H]- 391.083096 188.7
[M]+ 370.10788142 190.1
[M]- 370.10897858 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.