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

63
Patents

286.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 163.8
[M+Na]+ 309.12096 169.0
[M-H]- 285.12446 166.8
[M+NH4]+ 304.16556 177.1
[M+K]+ 325.09490 163.8
[M+H-H2O]+ 269.12900 155.6
[M+HCOO]- 331.12994 179.6
[M+CH3COO]- 345.14559 198.3
[M+Na-2H]- 307.10641 167.5
[M]+ 286.13119 157.6
[M]- 286.13229 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