CID 40305

Fagaronine

Structural Information

Molecular Formula
C21H20NO4
SMILES
C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)OC)OC)OC
InChI
InChI=1S/C21H19NO4/c1-22-11-13-8-19(25-3)20(26-4)9-15(13)14-6-5-12-7-17(23)18(24-2)10-16(12)21(14)22/h5-11H,1-4H3/p+1
InChIKey
OOKZVPUCASIEBL-UHFFFAOYSA-O
Compound name
3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

51
References

702
Patents

350.13922 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14650 181.2
[M+Na]+ 373.12844 201.5
[M+NH4]+ 368.17304 191.1
[M+K]+ 389.10238 193.0
[M-H]- 349.13194 187.1
[M+Na-2H]- 371.11389 188.5
[M]+ 350.13867 186.5
[M]- 350.13977 186.5
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

patents stripe