CID 1739268

355826-63-0

Structural Information

Molecular Formula
C26H20ClNO3
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H20ClNO3/c1-16-7-9-19(10-8-16)25-17(2)24(21-5-3-4-6-22(21)28-25)26(30)31-15-23(29)18-11-13-20(27)14-12-18/h3-14H,15H2,1-2H3
InChIKey
GVZUSRZLNVAPPJ-UHFFFAOYSA-N
Compound name
[2-(4-chlorophenyl)-2-oxoethyl] 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.11316 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.12044 203.1
[M+Na]+ 452.10238 222.0
[M+NH4]+ 447.14698 211.2
[M+K]+ 468.07632 211.6
[M-H]- 428.10588 210.2
[M+Na-2H]- 450.08783 213.4
[M]+ 429.11261 208.5
[M]- 429.11371 208.5
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.