CID 2898036

2-(4-methoxyphenyl)-2-oxoethyl 8-methyl-2-(4-methylphenyl)-4-quinolinecarboxylate

Structural Information

Molecular Formula
C27H23NO4
SMILES
CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C27H23NO4/c1-17-7-9-19(10-8-17)24-15-23(22-6-4-5-18(2)26(22)28-24)27(30)32-16-25(29)20-11-13-21(31-3)14-12-20/h4-15H,16H2,1-3H3
InChIKey
MHLWHXGYDXTGBB-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-2-oxoethyl] 8-methyl-2-(4-methylphenyl)quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.16272 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17000 205.4
[M+Na]+ 448.15194 212.4
[M-H]- 424.15544 214.5
[M+NH4]+ 443.19654 214.1
[M+K]+ 464.12588 207.2
[M+H-H2O]+ 408.15998 193.5
[M+HCOO]- 470.16092 223.5
[M+CH3COO]- 484.17657 230.7
[M+Na-2H]- 446.13739 206.0
[M]+ 425.16217 209.7
[M]- 425.16327 209.7
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.