CID 6482374

[1,3]benzodioxolo[5,6-c]phenanthridinium, 1,2,3-trimethoxy-12-methyl-

Structural Information

Molecular Formula
C22H20NO5
SMILES
C[N+]1=CC2=C(C(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)OC
InChI
InChI=1S/C22H20NO5/c1-23-10-16-15(9-19(24-2)22(26-4)21(16)25-3)13-6-5-12-7-17-18(28-11-27-17)8-14(12)20(13)23/h5-10H,11H2,1-4H3/q+1
InChIKey
VOPABNXGEXFXQF-UHFFFAOYSA-N
Compound name
1,2,3-trimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.13416 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.14144 191.6
[M+Na]+ 401.12338 203.3
[M-H]- 377.12688 200.4
[M+NH4]+ 396.16798 205.5
[M+K]+ 417.09732 195.8
[M+H-H2O]+ 361.13142 185.3
[M+HCOO]- 423.13236 207.9
[M+CH3COO]- 437.14801 216.5
[M+Na-2H]- 399.10883 199.8
[M]+ 378.13361 201.3
[M]- 378.13471 201.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.