CID 1217834

2-oxo-2-phenylethyl 2-(4-ethylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H21NO3
SMILES
CCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H21NO3/c1-2-18-12-14-19(15-13-18)24-16-22(21-10-6-7-11-23(21)27-24)26(29)30-17-25(28)20-8-4-3-5-9-20/h3-16H,2,17H2,1H3
InChIKey
VZHCMHFEPPPPQB-UHFFFAOYSA-N
Compound name
phenacyl 2-(4-ethylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15213 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15941 197.6
[M+Na]+ 418.14135 203.6
[M-H]- 394.14485 206.1
[M+NH4]+ 413.18595 207.1
[M+K]+ 434.11529 197.5
[M+H-H2O]+ 378.14939 185.9
[M+HCOO]- 440.15033 216.0
[M+CH3COO]- 454.16598 206.4
[M+Na-2H]- 416.12680 200.1
[M]+ 395.15158 199.4
[M]- 395.15268 199.4
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.