CID 673729

2-(3-hydroxyphenyl)quinoline-4-carboxylic acid

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC(=CC=C3)O)C(=O)O
InChI
InChI=1S/C16H11NO3/c18-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)17-15/h1-9,18H,(H,19,20)
InChIKey
VECNLFVATDBRIW-UHFFFAOYSA-N
Compound name
2-(3-hydroxyphenyl)quinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

265.07388 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 158.0
[M+Na]+ 288.06310 166.7
[M-H]- 264.06660 162.2
[M+NH4]+ 283.10770 172.6
[M+K]+ 304.03704 161.5
[M+H-H2O]+ 248.07114 150.0
[M+HCOO]- 310.07208 176.8
[M+CH3COO]- 324.08773 169.5
[M+Na-2H]- 286.04855 164.0
[M]+ 265.07333 157.4
[M]- 265.07443 157.4
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