CID 86574385

5-methyl-6h-[1,3]dioxolo[4,5-j]phenanthridin-2-ol

Structural Information

Molecular Formula

C₁₅H₁₃NO₃

SMILES

CN1CC2=CC3=C(C=C2C4=C1C=CC(=C4)O)OCO3

InChI

InChI=1S/C15H13NO3/c1-16-7-9-4-14-15(19-8-18-14)6-11(9)12-5-10(17)2-3-13(12)16/h2-6,17H,7-8H2,1H3

InChIKey

OLIMKRZHQNGQQN-UHFFFAOYSA-N

Compound name

5-methyl-6H-[1,3]dioxolo[4,5-j]phenanthridin-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 255.08954 Da
Monoisotopic Mass: 2.7
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]+	256.096816	153.8
[M+Na]+	278.078758	164.0
[M-H]-	254.082264	159.3
[M+NH4]+	273.123363	171.5
[M+K]+	294.052698	161.5
[M+H-H2O]+	238.086800	147.3
[M+HCOO]-	300.087741	169.5
[M+CH3COO]-	314.103391	166.5
[M+Na-2H]-	276.064206	160.9
[M]+	255.08899142	155.8
[M]-	255.09008858	155.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.