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 190.2
[M+Na]+ 402.13119 203.0
[M-H]- 378.13469 196.7
[M+NH4]+ 397.17579 204.6
[M+K]+ 418.10513 199.0
[M+H-H2O]+ 362.13923 180.2
[M+HCOO]- 424.14017 209.9
[M+CH3COO]- 438.15582 225.2
[M+Na-2H]- 400.11664 195.8
[M]+ 379.14142 201.6
[M]- 379.14252 201.6
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.