CID 363476

Nsc628387

Structural Information

Molecular Formula
C16H16N2O3
SMILES
C1CCC(CC1)C(=O)NC2=CC(=O)C(=O)C3=C2N=CC=C3
InChI
InChI=1S/C16H16N2O3/c19-13-9-12(14-11(15(13)20)7-4-8-17-14)18-16(21)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,18,21)
InChIKey
XAEBHPRULNWEMY-UHFFFAOYSA-N
Compound name
N-(5,6-dioxoquinolin-8-yl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 163.2
[M+Na]+ 307.10532 168.4
[M-H]- 283.10882 168.5
[M+NH4]+ 302.14992 177.7
[M+K]+ 323.07926 164.5
[M+H-H2O]+ 267.11336 154.4
[M+HCOO]- 329.11430 180.7
[M+CH3COO]- 343.12995 202.4
[M+Na-2H]- 305.09077 166.7
[M]+ 284.11555 158.4
[M]- 284.11665 158.4
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

No patent data available for this compound.