CID 14323633

40538-23-6

Structural Information

Molecular Formula
C19H11NO5
SMILES
C1=CC=C2C(=C1)C=C(C(=N2)C3C(=O)C4=C(C3=O)C=C(C=C4)C(=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/h1-8,15,21H,(H,24,25)
InChIKey
ZFEWVGNTHIIVBH-UHFFFAOYSA-N
Compound name
2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

333.06372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.07100 173.4
[M+Na]+ 356.05294 183.5
[M-H]- 332.05644 179.3
[M+NH4]+ 351.09754 188.2
[M+K]+ 372.02688 178.0
[M+H-H2O]+ 316.06098 166.1
[M+HCOO]- 378.06192 190.8
[M+CH3COO]- 392.07757 184.6
[M+Na-2H]- 354.03839 175.3
[M]+ 333.06317 174.8
[M]- 333.06427 174.8
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