CID 16774010

6-bromo-2-[2-(4-ethylphenyl)ethenyl]quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C20H16BrNO2
SMILES
CCC1=CC=C(C=C1)/C=C/C2=CC(=C3C=C(C=CC3=N2)Br)C(=O)O
InChI
InChI=1S/C20H16BrNO2/c1-2-13-3-5-14(6-4-13)7-9-16-12-18(20(23)24)17-11-15(21)8-10-19(17)22-16/h3-12H,2H2,1H3,(H,23,24)/b9-7+
InChIKey
XINMJXBWMGGONL-VQHVLOKHSA-N
Compound name
6-bromo-2-[(E)-2-(4-ethylphenyl)ethenyl]quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.03644 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.04372 178.7
[M+Na]+ 404.02566 184.8
[M+NH4]+ 399.07026 182.9
[M+K]+ 419.99960 182.4
[M-H]- 380.02916 181.1
[M+Na-2H]- 402.01111 183.1
[M]+ 381.03589 179.2
[M]- 381.03699 179.2
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.