CID 3808622

355429-10-6

Structural Information

Molecular Formula
C28H25NO3
SMILES
CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C(C=CC=C23)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C28H25NO3/c1-4-20-10-14-22(15-11-20)26(30)17-32-28(31)24-16-25(21-12-8-18(2)9-13-21)29-27-19(3)6-5-7-23(24)27/h5-16H,4,17H2,1-3H3
InChIKey
NYKSQVDTSDYATF-UHFFFAOYSA-N
Compound name
[2-(4-ethylphenyl)-2-oxoethyl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.18344 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.19072 205.6
[M+Na]+ 446.17266 223.1
[M+NH4]+ 441.21726 213.0
[M+K]+ 462.14660 213.2
[M-H]- 422.17616 212.5
[M+Na-2H]- 444.15811 215.3
[M]+ 423.18289 210.3
[M]- 423.18399 210.3
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.