CID 3755509

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

Structural Information

Molecular Formula
C29H27NO3
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2)C(=O)OC(CC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H27NO3/c1-4-20-12-14-21(15-13-20)26-18-24(23-17-19(3)11-16-25(23)30-26)29(32)33-27(5-2)28(31)22-9-7-6-8-10-22/h6-18,27H,4-5H2,1-3H3
InChIKey
PWQFSFARZPCUQH-UHFFFAOYSA-N
Compound name
(1-oxo-1-phenylbutan-2-yl) 2-(4-ethylphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.1991 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20638 208.9
[M+Na]+ 460.18832 225.5
[M+NH4]+ 455.23292 216.0
[M+K]+ 476.16226 216.1
[M-H]- 436.19182 215.5
[M+Na-2H]- 458.17377 218.3
[M]+ 437.19855 213.4
[M]- 437.19965 213.4
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.