CID 1739413

355420-78-9

Structural Information

Molecular Formula
C26H20BrNO4
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C26H20BrNO4/c1-16-4-3-5-21-22(26(30)32-15-24(29)18-6-10-19(27)11-7-18)14-23(28-25(16)21)17-8-12-20(31-2)13-9-17/h3-14H,15H2,1-2H3
InChIKey
MAPRPMPQUVRSDY-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl] 2-(4-methoxyphenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.05756 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.06484 210.8
[M+Na]+ 512.04678 219.8
[M-H]- 488.05028 221.7
[M+NH4]+ 507.09138 220.8
[M+K]+ 528.02072 208.4
[M+H-H2O]+ 472.05482 206.2
[M+HCOO]- 534.05576 226.7
[M+CH3COO]- 548.07141 234.3
[M+Na-2H]- 510.03223 212.4
[M]+ 489.05701 232.8
[M]- 489.05811 232.8
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.