CID 54684045

128366-06-3

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC(C)CCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O
InChI
InChI=1S/C15H18N2O3/c1-9(2)7-8-16-14(19)12-13(18)10-5-3-4-6-11(10)17-15(12)20/h3-6,9H,7-8H2,1-2H3,(H,16,19)(H2,17,18,20)
InChIKey
GCDVEVQNLOXYAO-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(3-methylbutyl)-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

274.13174 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.0
[M+Na]+ 297.12096 174.2
[M+NH4]+ 292.16556 168.9
[M+K]+ 313.09490 169.0
[M-H]- 273.12446 163.4
[M+Na-2H]- 295.10641 166.7
[M]+ 274.13119 164.4
[M]- 274.13229 164.4
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

patents stripe