CID 478764

1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide

Structural Information

Molecular Formula
C12H12N2O2
SMILES
CCN1C=C(C(=O)C2=CC=CC=C21)C(=O)N
InChI
InChI=1S/C12H12N2O2/c1-2-14-7-9(12(13)16)11(15)8-5-3-4-6-10(8)14/h3-7H,2H2,1H3,(H2,13,16)
InChIKey
IGBIYUAKBDNNRJ-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxoquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

216.08987 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 145.3
[M+Na]+ 239.07909 155.0
[M-H]- 215.08259 148.7
[M+NH4]+ 234.12369 163.5
[M+K]+ 255.05303 151.4
[M+H-H2O]+ 199.08713 138.3
[M+HCOO]- 261.08807 167.6
[M+CH3COO]- 275.10372 191.6
[M+Na-2H]- 237.06454 151.2
[M]+ 216.08932 145.9
[M]- 216.09042 145.9
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.