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

0
Patents

216.08987 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.097146 145.3
[M+Na]+ 239.079088 155.0
[M-H]- 215.082594 148.7
[M+NH4]+ 234.123693 163.5
[M+K]+ 255.053028 151.4
[M+H-H2O]+ 199.087130 138.3
[M+HCOO]- 261.088071 167.6
[M+CH3COO]- 275.103721 191.6
[M+Na-2H]- 237.064536 151.2
[M]+ 216.08932142 145.9
[M]- 216.09041858 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

literature stripe

Patent stripe

patents stripe