CID 54684044

Brn 4322042

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]+ 261.12338 157.8
[M+Na]+ 283.10532 165.7
[M-H]- 259.10882 158.6
[M+NH4]+ 278.14992 173.0
[M+K]+ 299.07926 160.9
[M+H-H2O]+ 243.11336 150.8
[M+HCOO]- 305.11430 177.3
[M+CH3COO]- 319.12995 194.9
[M+Na-2H]- 281.09077 162.9
[M]+ 260.11555 157.8
[M]- 260.11665 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.