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 164.1
[M+Na]+ 322.06860 180.5
[M+NH4]+ 317.11320 172.3
[M+K]+ 338.04254 176.3
[M-H]- 298.07210 169.1
[M+Na-2H]- 320.05405 167.5
[M]+ 299.07883 168.1
[M]- 299.07993 168.1
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.