CID 131753041

Marshdine

Structural Information

Molecular Formula
C16H13NO5
SMILES
CN1C2=C(C(=CC(=C2)OC)O)C(=O)C3=C1C4=C(C=C3)OCO4
InChI
InChI=1S/C16H13NO5/c1-17-10-5-8(20-2)6-11(18)13(10)15(19)9-3-4-12-16(14(9)17)22-7-21-12/h3-6,18H,7H2,1-2H3
InChIKey
HIDPWENUZOGSOF-UHFFFAOYSA-N
Compound name
7-hydroxy-9-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.07938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08666 163.5
[M+Na]+ 322.06860 176.8
[M-H]- 298.07210 170.4
[M+NH4]+ 317.11320 179.8
[M+K]+ 338.04254 174.8
[M+H-H2O]+ 282.07664 156.9
[M+HCOO]- 344.07758 182.0
[M+CH3COO]- 358.09323 177.0
[M+Na-2H]- 320.05405 170.8
[M]+ 299.07883 171.7
[M]- 299.07993 171.7
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.