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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 153.8
[M+Na]+ 278.07876 164.0
[M-H]- 254.08226 159.3
[M+NH4]+ 273.12336 171.5
[M+K]+ 294.05270 161.5
[M+H-H2O]+ 238.08680 147.3
[M+HCOO]- 300.08774 169.5
[M+CH3COO]- 314.10339 166.5
[M+Na-2H]- 276.06421 160.9
[M]+ 255.08899 155.8
[M]- 255.09009 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.