CID 3837689

1-benzoylpropyl 2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C28H25NO4
SMILES
CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C28H25NO4/c1-4-26(27(30)20-8-6-5-7-9-20)33-28(31)23-17-25(19-11-13-21(32-3)14-12-19)29-24-15-10-18(2)16-22(23)24/h5-17,26H,4H2,1-3H3
InChIKey
MNKLMDLWBXANIZ-UHFFFAOYSA-N
Compound name
(1-oxo-1-phenylbutan-2-yl) 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.17834 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18562 207.3
[M+Na]+ 462.16756 223.5
[M+NH4]+ 457.21216 214.0
[M+K]+ 478.14150 214.9
[M-H]- 438.17106 213.4
[M+Na-2H]- 460.15301 216.5
[M]+ 439.17779 211.5
[M]- 439.17889 211.5
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.