CID 247361

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

52810
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 158.8
[M+Na]+ 288.06310 174.5
[M+NH4]+ 283.10770 166.9
[M+K]+ 304.03704 167.4
[M-H]- 264.06660 162.6
[M+Na-2H]- 286.04855 167.4
[M]+ 265.07333 162.2
[M]- 265.07443 162.2
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

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