CID 6475553

8-hydroxy-2-styrylquinoline-7-carboxylic acid

Structural Information

Molecular Formula
C18H13NO3
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=C(C=C2)C=CC(=C3O)C(=O)O
InChI
InChI=1S/C18H13NO3/c20-17-15(18(21)22)11-8-13-7-10-14(19-16(13)17)9-6-12-4-2-1-3-5-12/h1-11,20H,(H,21,22)/b9-6+
InChIKey
LYGUWNHNFGYTGZ-RMKNXTFCSA-N
Compound name
8-hydroxy-2-[(E)-2-phenylethenyl]quinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

6
Patents

291.08954 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 166.3
[M+Na]+ 314.07876 174.5
[M-H]- 290.08226 170.2
[M+NH4]+ 309.12336 179.9
[M+K]+ 330.05270 168.3
[M+H-H2O]+ 274.08680 158.0
[M+HCOO]- 336.08774 184.7
[M+CH3COO]- 350.10339 197.9
[M+Na-2H]- 312.06421 171.3
[M]+ 291.08899 165.6
[M]- 291.09009 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe