CID 1739321

3-methylphenyl 2-(4-chlorophenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C23H16ClNO2
SMILES
CC1=CC(=CC=C1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H16ClNO2/c1-15-5-4-6-18(13-15)27-23(26)20-14-22(16-9-11-17(24)12-10-16)25-21-8-3-2-7-19(20)21/h2-14H,1H3
InChIKey
XSOXDJPDJMKRED-UHFFFAOYSA-N
Compound name
(3-methylphenyl) 2-(4-chlorophenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.08694 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09422 188.6
[M+Na]+ 396.07616 208.5
[M+NH4]+ 391.12076 198.1
[M+K]+ 412.05010 197.3
[M-H]- 372.07966 196.5
[M+Na-2H]- 394.06161 200.7
[M]+ 373.08639 194.4
[M]- 373.08749 194.4
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.