CID 101680139

Furoparadine

Structural Information

Molecular Formula
C17H13NO5
SMILES
CN1C2=C(C=CC(=C2OC)O)C(=O)C3=C1C4=C(C=C3O)OC=C4
InChI
InChI=1S/C17H13NO5/c1-18-14-8-5-6-23-12(8)7-11(20)13(14)16(21)9-3-4-10(19)17(22-2)15(9)18/h3-7,19-20H,1-2H3
InChIKey
YVQYEEOGMKSXAW-UHFFFAOYSA-N
Compound name
5,9-dihydroxy-10-methoxy-11-methylfuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.07938 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.08666 167.2
[M+Na]+ 334.06860 182.1
[M-H]- 310.07210 173.2
[M+NH4]+ 329.11320 184.0
[M+K]+ 350.04254 178.1
[M+H-H2O]+ 294.07664 160.7
[M+HCOO]- 356.07758 187.5
[M+CH3COO]- 370.09323 180.9
[M+Na-2H]- 332.05405 174.3
[M]+ 311.07883 176.6
[M]- 311.07993 176.6
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

No patent data available for this compound.