CID 16774010

6-bromo-2-[(1e)-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 182.7
[M+Na]+ 404.02566 193.6
[M-H]- 380.02916 190.0
[M+NH4]+ 399.07026 197.4
[M+K]+ 419.99960 179.8
[M+H-H2O]+ 364.03370 180.6
[M+HCOO]- 426.03464 199.2
[M+CH3COO]- 440.05029 213.4
[M+Na-2H]- 402.01111 186.8
[M]+ 381.03589 201.9
[M]- 381.03699 201.9
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.