CID 3732617

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

Structural Information

Molecular Formula
C28H25NO3
SMILES
CCC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)C
InChI
InChI=1S/C28H25NO3/c1-4-26(27(30)21-8-6-5-7-9-21)32-28(31)23-17-25(20-13-10-18(2)11-14-20)29-24-15-12-19(3)16-22(23)24/h5-17,26H,4H2,1-3H3
InChIKey
DTKNGSYXYKEWTM-UHFFFAOYSA-N
Compound name
(1-oxo-1-phenylbutan-2-yl) 6-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

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.19072 204.5
[M+Na]+ 446.17266 221.2
[M+NH4]+ 441.21726 211.7
[M+K]+ 462.14660 212.0
[M-H]- 422.17616 211.1
[M+Na-2H]- 444.15811 214.1
[M]+ 423.18289 209.0
[M]- 423.18399 209.0
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.