CID 93600

57258-90-9

Structural Information

Molecular Formula
C21H15NO5
SMILES
CCOC(=O)C1=CC2=C(C=C1)C(=O)C(C2=O)C3=NC4=CC=CC=C4C=C3O
InChI
InChI=1S/C21H15NO5/c1-2-27-21(26)12-7-8-13-14(9-12)20(25)17(19(13)24)18-16(23)10-11-5-3-4-6-15(11)22-18/h3-10,17,23H,2H2,1H3
InChIKey
DYCJYXMVABIVOY-UHFFFAOYSA-N
Compound name
ethyl 2-(3-hydroxyquinolin-2-yl)-1,3-dioxoindene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

361.09503 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10231 182.8
[M+Na]+ 384.08425 192.4
[M-H]- 360.08775 189.6
[M+NH4]+ 379.12885 197.2
[M+K]+ 400.05819 187.3
[M+H-H2O]+ 344.09229 174.7
[M+HCOO]- 406.09323 200.9
[M+CH3COO]- 420.10888 214.8
[M+Na-2H]- 382.06970 183.9
[M]+ 361.09448 186.4
[M]- 361.09558 186.4
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