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 173.7
[M+Na]+ 356.05294 184.1
[M-H]- 332.05644 178.7
[M+NH4]+ 351.09754 188.1
[M+K]+ 372.02688 178.4
[M+H-H2O]+ 316.06098 166.6
[M+HCOO]- 378.06192 190.9
[M+CH3COO]- 392.07757 184.7
[M+Na-2H]- 354.03839 176.2
[M]+ 333.06317 175.5
[M]- 333.06427 175.5
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