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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	300.086656	163.5
[M+Na]+	322.068598	176.8
[M-H]-	298.072104	170.4
[M+NH4]+	317.113203	179.8
[M+K]+	338.042538	174.8
[M+H-H2O]+	282.076640	156.9
[M+HCOO]-	344.077581	182.0
[M+CH3COO]-	358.093231	177.0
[M+Na-2H]-	320.054046	170.8
[M]+	299.07883142	171.7
[M]-	299.07992858	171.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.