CID 997453

2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid

Structural Information

Molecular Formula
C18H14BrNO2
SMILES
CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Br)C(=O)O)C
InChI
InChI=1S/C18H14BrNO2/c1-10-7-11(2)17-14(8-10)15(18(21)22)9-16(20-17)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,22)
InChIKey
GBORHFHYPAQPQQ-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

355.02078 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.02806 174.5
[M+Na]+ 378.01000 186.8
[M-H]- 354.01350 182.6
[M+NH4]+ 373.05460 190.6
[M+K]+ 393.98394 174.0
[M+H-H2O]+ 338.01804 172.8
[M+HCOO]- 400.01898 191.5
[M+CH3COO]- 414.03463 187.5
[M+Na-2H]- 375.99545 179.0
[M]+ 355.02023 194.2
[M]- 355.02133 194.2
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.