CID 54684044

128366-05-2

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C14H16N2O3/c1-2-3-8-15-13(18)11-12(17)9-6-4-5-7-10(9)16-14(11)19/h4-7H,2-3,8H2,1H3,(H,15,18)(H2,16,17,19)
InChIKey
AQIIIQAZMCDENJ-UHFFFAOYSA-N
Compound name
N-butyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 157.8
[M+Na]+ 283.105318 165.7
[M-H]- 259.108824 158.6
[M+NH4]+ 278.149923 173.0
[M+K]+ 299.079258 160.9
[M+H-H2O]+ 243.113360 150.8
[M+HCOO]- 305.114301 177.3
[M+CH3COO]- 319.129951 194.9
[M+Na-2H]- 281.090766 162.9
[M]+ 260.11555142 157.8
[M]- 260.11664858 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.