CID 1739302

3,4-dimethylphenyl 2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C26H23NO3
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC3=CC(=C(C=C3)C)C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C26H23NO3/c1-16-5-12-24-22(13-16)23(26(28)30-21-9-6-17(2)18(3)14-21)15-25(27-24)19-7-10-20(29-4)11-8-19/h5-15H,1-4H3
InChIKey
AQBAIXHRJOEGEQ-UHFFFAOYSA-N
Compound name
(3,4-dimethylphenyl) 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.1678 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17508 198.7
[M+Na]+ 420.15702 217.4
[M+NH4]+ 415.20162 206.9
[M+K]+ 436.13096 207.4
[M-H]- 396.16052 206.2
[M+Na-2H]- 418.14247 209.1
[M]+ 397.16725 203.9
[M]- 397.16835 203.9
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.