CID 1739303

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

Structural Information

Molecular Formula
C24H18BrNO3
SMILES
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OC3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC
InChI
InChI=1S/C24H18BrNO3/c1-15-3-12-22-20(13-15)21(24(27)29-19-10-6-17(25)7-11-19)14-23(26-22)16-4-8-18(28-2)9-5-16/h3-14H,1-2H3
InChIKey
DMTXNAHAJIVCSM-UHFFFAOYSA-N
Compound name
(4-bromophenyl) 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.047 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.05428 201.1
[M+Na]+ 470.03622 211.5
[M-H]- 446.03972 212.4
[M+NH4]+ 465.08082 213.2
[M+K]+ 486.01016 199.6
[M+H-H2O]+ 430.04426 197.0
[M+HCOO]- 492.04520 218.4
[M+CH3COO]- 506.06085 212.3
[M+Na-2H]- 468.02167 204.7
[M]+ 447.04645 222.5
[M]- 447.04755 222.5
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.