CID 1739305

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

Structural Information

Molecular Formula
C28H21NO3
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)OC
InChI
InChI=1S/C28H21NO3/c1-18-10-15-25-23(16-18)24(17-26(29-25)20-11-13-21(31-2)14-12-20)28(30)32-27-9-5-7-19-6-3-4-8-22(19)27/h3-17H,1-2H3
InChIKey
CQWSDWYHIUQVMS-UHFFFAOYSA-N
Compound name
naphthalen-1-yl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.15213 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15941 203.8
[M+Na]+ 442.14135 224.4
[M+NH4]+ 437.18595 212.8
[M+K]+ 458.11529 212.8
[M-H]- 418.14485 212.5
[M+Na-2H]- 440.12680 215.8
[M]+ 419.15158 209.8
[M]- 419.15268 209.8
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.