CID 101673185

1,2-dimethoxy-13-methyl[1,3]benzodioxolo[5,6-c]phenanthridine

Structural Information

Molecular Formula
C21H17NO4
SMILES
CC1=C2C(=C3C=CC4=CC5=C(C=C4C3=N1)OCO5)C=CC(=C2OC)OC
InChI
InChI=1S/C21H17NO4/c1-11-19-13(6-7-16(23-2)21(19)24-3)14-5-4-12-8-17-18(26-10-25-17)9-15(12)20(14)22-11/h4-9H,10H2,1-3H3
InChIKey
FYDZPRHXTQYOIW-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-13-methyl-[1,3]benzodioxolo[5,6-c]phenanthridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.11575 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.123026 180.2
[M+Na]+ 370.104968 192.6
[M-H]- 346.108474 188.7
[M+NH4]+ 365.149573 195.8
[M+K]+ 386.078908 189.8
[M+H-H2O]+ 330.113010 171.7
[M+HCOO]- 392.113951 197.4
[M+CH3COO]- 406.129601 192.5
[M+Na-2H]- 368.090416 187.1
[M]+ 347.11520142 189.1
[M]- 347.11629858 189.1
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.