CID 1945739

2-naphthyl 2-(4-bromophenyl)-8-methyl-4-quinolinecarboxylate

Structural Information

Molecular Formula
C27H18BrNO2
SMILES
CC1=C2C(=CC=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)OC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C27H18BrNO2/c1-17-5-4-8-23-24(16-25(29-26(17)23)19-9-12-21(28)13-10-19)27(30)31-22-14-11-18-6-2-3-7-20(18)15-22/h2-16H,1H3
InChIKey
MDORXNKTQUYSHZ-UHFFFAOYSA-N
Compound name
naphthalen-2-yl 2-(4-bromophenyl)-8-methylquinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.0521 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.05938 210.0
[M+Na]+ 490.04132 220.9
[M-H]- 466.04482 222.0
[M+NH4]+ 485.08592 221.9
[M+K]+ 506.01526 208.0
[M+H-H2O]+ 450.04936 205.3
[M+HCOO]- 512.05030 226.7
[M+CH3COO]- 526.06595 220.6
[M+Na-2H]- 488.02677 215.1
[M]+ 467.05155 230.4
[M]- 467.05265 230.4
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.