CID 1734583

4-chlorophenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C23H16ClNO3
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H16ClNO3/c1-27-17-10-6-15(7-11-17)22-14-20(19-4-2-3-5-21(19)25-22)23(26)28-18-12-8-16(24)9-13-18/h2-14H,1H3
InChIKey
VXUVRYYWUAUHPY-UHFFFAOYSA-N
Compound name
(4-chlorophenyl) 2-(4-methoxyphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

389.08188 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.08916 191.5
[M+Na]+ 412.07110 200.7
[M-H]- 388.07460 200.7
[M+NH4]+ 407.11570 202.8
[M+K]+ 428.04504 194.0
[M+H-H2O]+ 372.07914 180.8
[M+HCOO]- 434.08008 207.3
[M+CH3COO]- 448.09573 201.7
[M+Na-2H]- 410.05655 195.5
[M]+ 389.08133 196.6
[M]- 389.08243 196.6
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.