CID 3087373

O-methyl-6-oxofagaronine

Structural Information

Molecular Formula
C22H21NO5
SMILES
CN1C2=C(C=CC3=CC(=C(C=C32)OC)OC)C4=CC(=C(C=C4C1=O)OC)OC
InChI
InChI=1S/C22H21NO5/c1-23-21-13(7-6-12-8-17(25-2)18(26-3)9-14(12)21)15-10-19(27-4)20(28-5)11-16(15)22(23)24/h6-11H,1-5H3
InChIKey
AIDLXPSMRVKBCD-UHFFFAOYSA-N
Compound name
2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.14197 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14925 189.8
[M+Na]+ 402.13119 208.3
[M+NH4]+ 397.17579 197.8
[M+K]+ 418.10513 199.3
[M-H]- 378.13469 193.7
[M+Na-2H]- 400.11664 195.6
[M]+ 379.14142 193.9
[M]- 379.14252 193.9
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.