CID 4594057

1-methyl-2-oxo-2-phenylethyl 8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C27H23NO3
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(=C2)C(=O)OC(C)C(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C27H23NO3/c1-17-12-14-20(15-13-17)24-16-23(22-11-7-8-18(2)25(22)28-24)27(30)31-19(3)26(29)21-9-5-4-6-10-21/h4-16,19H,1-3H3
InChIKey
XOOZNBYHQVKIDT-UHFFFAOYSA-N
Compound name
(1-oxo-1-phenylpropan-2-yl) 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.1678 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.17508 199.9
[M+Na]+ 432.15702 216.9
[M+NH4]+ 427.20162 207.4
[M+K]+ 448.13096 208.0
[M-H]- 408.16052 206.6
[M+Na-2H]- 430.14247 209.9
[M]+ 409.16725 204.5
[M]- 409.16835 204.5
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.