CID 2898035

2-oxo-2-phenylethyl 3-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H21NO3
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H21NO3/c1-17-12-14-20(15-13-17)25-18(2)24(21-10-6-7-11-22(21)27-25)26(29)30-16-23(28)19-8-4-3-5-9-19/h3-15H,16H2,1-2H3
InChIKey
JHCIVDMMHYBDCL-UHFFFAOYSA-N
Compound name
phenacyl 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15213 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15941 196.5
[M+Na]+ 418.14135 214.1
[M+NH4]+ 413.18595 204.3
[M+K]+ 434.11529 204.5
[M-H]- 394.14485 203.4
[M+Na-2H]- 416.12680 207.0
[M]+ 395.15158 201.3
[M]- 395.15268 201.3
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.