CID 3732873

355429-14-0

Structural Information

Molecular Formula
C26H20BrNO3
SMILES
CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C26H20BrNO3/c1-2-17-8-10-19(11-9-17)25(29)16-31-26(30)22-15-24(18-6-4-3-5-7-18)28-23-13-12-20(27)14-21(22)23/h3-15H,2,16H2,1H3
InChIKey
ZTNBQHRTSAAHGL-UHFFFAOYSA-N
Compound name
[2-(4-ethylphenyl)-2-oxoethyl] 6-bromo-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.06265 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.06993 208.4
[M+Na]+ 496.05187 217.0
[M-H]- 472.05537 219.0
[M+NH4]+ 491.09647 219.0
[M+K]+ 512.02581 204.6
[M+H-H2O]+ 456.05991 204.1
[M+HCOO]- 518.06085 224.3
[M+CH3COO]- 532.07650 218.4
[M+Na-2H]- 494.03732 210.6
[M]+ 473.06210 228.7
[M]- 473.06320 228.7
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.