CID 478722

Chembl41210

Structural Information

Molecular Formula
C18H16N2O2
SMILES
CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC=CC=C3)C(=O)N
InChI
InChI=1S/C18H16N2O2/c1-2-20-11-15(18(19)22)17(21)14-9-8-13(10-16(14)20)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,22)
InChIKey
KYEAKQWFNIOMHG-UHFFFAOYSA-N
Compound name
1-ethyl-4-oxo-7-phenylquinoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

292.1212 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.12848 167.7
[M+Na]+ 315.11042 176.9
[M-H]- 291.11392 174.1
[M+NH4]+ 310.15502 182.4
[M+K]+ 331.08436 171.4
[M+H-H2O]+ 275.11846 158.8
[M+HCOO]- 337.11940 189.2
[M+CH3COO]- 351.13505 206.9
[M+Na-2H]- 313.09587 172.2
[M]+ 292.12065 168.1
[M]- 292.12175 168.1
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

No patent data available for this compound.