CID 3022162

Brn 0285628

Structural Information

Molecular Formula
C19H17NO3
SMILES
CCOC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)C)C3=CC=CC=C3
InChI
InChI=1S/C19H17NO3/c1-3-23-19(22)16-17(13-7-5-4-6-8-13)20-15-10-9-12(2)11-14(15)18(16)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKey
XQNCNNSVKCCNPJ-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 171.2
[M+Na]+ 330.11007 180.2
[M-H]- 306.11357 176.6
[M+NH4]+ 325.15467 185.1
[M+K]+ 346.08401 174.7
[M+H-H2O]+ 290.11811 162.4
[M+HCOO]- 352.11905 190.6
[M+CH3COO]- 366.13470 204.5
[M+Na-2H]- 328.09552 175.2
[M]+ 307.12030 173.0
[M]- 307.12140 173.0
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.