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]+ 312.086656 167.2
[M+Na]+ 334.068598 182.1
[M-H]- 310.072104 173.2
[M+NH4]+ 329.113203 184.0
[M+K]+ 350.042538 178.1
[M+H-H2O]+ 294.076640 160.7
[M+HCOO]- 356.077581 187.5
[M+CH3COO]- 370.093231 180.9
[M+Na-2H]- 332.054046 174.3
[M]+ 311.07883142 176.6
[M]- 311.07992858 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.