CID 54680105

128366-07-4

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1CCC(CC1)NC(=O)C2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C16H18N2O3/c19-14-11-8-4-5-9-12(11)18-16(21)13(14)15(20)17-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H,17,20)(H2,18,19,21)
InChIKey
MZELJDKERIRFIU-UHFFFAOYSA-N
Compound name
N-cyclohexyl-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

286.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 163.8
[M+Na]+ 309.120958 169.0
[M-H]- 285.124464 166.8
[M+NH4]+ 304.165563 177.1
[M+K]+ 325.094898 163.8
[M+H-H2O]+ 269.129000 155.6
[M+HCOO]- 331.129941 179.6
[M+CH3COO]- 345.145591 198.3
[M+Na-2H]- 307.106406 167.5
[M]+ 286.13119142 157.6
[M]- 286.13228858 157.6
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

patents stripe