CID 2898301

355826-66-3

Structural Information

Molecular Formula
C27H23NO4
SMILES
CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)OC
InChI
InChI=1S/C27H23NO4/c1-17-8-10-20(11-9-17)26-18(2)25(22-6-4-5-7-23(22)28-26)27(30)32-16-24(29)19-12-14-21(31-3)15-13-19/h4-15H,16H2,1-3H3
InChIKey
NRXAOSWPDCTKCW-UHFFFAOYSA-N
Compound name
[2-(4-methoxyphenyl)-2-oxoethyl] 3-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 204.0
[M+Na]+ 448.15194 221.2
[M+NH4]+ 443.19654 211.0
[M+K]+ 464.12588 212.2
[M-H]- 424.15544 210.5
[M+Na-2H]- 446.13739 213.6
[M]+ 425.16217 208.6
[M]- 425.16327 208.6
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.