CID 466919

(4-chlorophenyl) 2-cyano-6-methoxy-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula
C18H13ClN2O3
SMILES
COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H13ClN2O3/c1-23-16-8-9-17-12(10-16)2-5-14(11-20)21(17)18(22)24-15-6-3-13(19)4-7-15/h2-10,14H,1H3
InChIKey
PWLNVJGJILOPQK-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 2-cyano-6-methoxy-2H-quinoline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.06146 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06874 178.4
[M+Na]+ 363.05068 190.3
[M-H]- 339.05418 183.0
[M+NH4]+ 358.09528 190.9
[M+K]+ 379.02462 182.3
[M+H-H2O]+ 323.05872 163.9
[M+HCOO]- 385.05966 190.5
[M+CH3COO]- 399.07531 218.3
[M+Na-2H]- 361.03613 181.3
[M]+ 340.06091 177.3
[M]- 340.06201 177.3
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.