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]+ 348.12303 180.2
[M+Na]+ 370.10497 192.6
[M-H]- 346.10847 188.7
[M+NH4]+ 365.14957 195.8
[M+K]+ 386.07891 189.8
[M+H-H2O]+ 330.11301 171.7
[M+HCOO]- 392.11395 197.4
[M+CH3COO]- 406.12960 192.5
[M+Na-2H]- 368.09042 187.1
[M]+ 347.11520 189.1
[M]- 347.11630 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.