CID 3022165

Brn 0297804

Structural Information

Molecular Formula
C18H14ClNO3
SMILES
CCOC(=O)C1=C(NC2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H14ClNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-10-12(19)8-9-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21)
InChIKey
MVCXZXPDIFBHMJ-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06622 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.073496 172.1
[M+Na]+ 350.055438 182.5
[M-H]- 326.058944 177.6
[M+NH4]+ 345.100043 186.2
[M+K]+ 366.029378 175.6
[M+H-H2O]+ 310.063480 164.3
[M+HCOO]- 372.064421 187.4
[M+CH3COO]- 386.080071 205.1
[M+Na-2H]- 348.040886 176.3
[M]+ 327.06567142 176.0
[M]- 327.06676858 176.0
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.