CID 1943579

4-methylphenyl 2-(4-methoxyphenyl)-6-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C25H21NO3
SMILES
CC1=CC=C(C=C1)OC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC=C(C=C4)OC
InChI
InChI=1S/C25H21NO3/c1-16-4-9-20(10-5-16)29-25(27)22-15-24(18-7-11-19(28-3)12-8-18)26-23-13-6-17(2)14-21(22)23/h4-15H,1-3H3
InChIKey
KWGHYOIMLMBLNR-UHFFFAOYSA-N
Compound name
(4-methylphenyl) 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

383.15213 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15941 194.1
[M+Na]+ 406.14135 212.6
[M+NH4]+ 401.18595 202.4
[M+K]+ 422.11529 202.6
[M-H]- 382.14485 201.6
[M+Na-2H]- 404.12680 205.0
[M]+ 383.15158 199.2
[M]- 383.15268 199.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.