CID 1216963

2-oxo-2-phenylethyl 6-bromo-2-phenyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C24H16BrNO3
SMILES
C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H16BrNO3/c25-18-11-12-21-19(13-18)20(14-22(26-21)16-7-3-1-4-8-16)24(28)29-15-23(27)17-9-5-2-6-10-17/h1-14H,15H2
InChIKey
ZXULPBLSVJIGKZ-UHFFFAOYSA-N
Compound name
phenacyl 6-bromo-2-phenylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.03137 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.03865 199.3
[M+Na]+ 468.02059 208.0
[M-H]- 444.02409 210.0
[M+NH4]+ 463.06519 210.8
[M+K]+ 483.99453 196.0
[M+H-H2O]+ 428.02863 195.4
[M+HCOO]- 490.02957 216.0
[M+CH3COO]- 504.04522 209.9
[M+Na-2H]- 466.00604 203.4
[M]+ 445.03082 218.8
[M]- 445.03192 218.8
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.