CID 87273

6396-90-3

Structural Information

Molecular Formula
C19H11NO5
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C3=C(C4=C(C3=O)C=CC(=C4)C(=O)O)O)O
InChI
InChI=1S/C19H11NO5/c21-14-8-9-3-1-2-4-13(9)20-16(14)15-17(22)11-6-5-10(19(24)25)7-12(11)18(15)23/h1-8,21,23H,(H,24,25)
InChIKey
HARWBBSTBAINBI-UHFFFAOYSA-N
Compound name
3-hydroxy-2-(3-hydroxyquinolin-2-yl)-1-oxoindene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.06372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07100 175.5
[M+Na]+ 356.05294 189.9
[M+NH4]+ 351.09754 182.1
[M+K]+ 372.02688 185.9
[M-H]- 332.05644 177.9
[M+Na-2H]- 354.03839 180.3
[M]+ 333.06317 178.1
[M]- 333.06427 178.1
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

patents stripe