CID 379805

93663-74-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.06622 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07350 172.1
[M+Na]+ 350.05544 182.5
[M-H]- 326.05894 177.6
[M+NH4]+ 345.10004 186.2
[M+K]+ 366.02938 175.6
[M+H-H2O]+ 310.06348 164.3
[M+HCOO]- 372.06442 187.4
[M+CH3COO]- 386.08007 205.1
[M+Na-2H]- 348.04089 176.3
[M]+ 327.06567 176.0
[M]- 327.06677 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

literature stripe

Patent stripe

patents stripe