CID 189151

Cepharadione b

Structural Information

Molecular Formula
C19H15NO4
SMILES
CN1C2=CC3=CC=CC=C3C4=C2C(=CC(=C4OC)OC)C(=O)C1=O
InChI
InChI=1S/C19H15NO4/c1-20-13-8-10-6-4-5-7-11(10)16-15(13)12(17(21)19(20)22)9-14(23-2)18(16)24-3/h4-9H,1-3H3
InChIKey
AFKGBLKLNRDQFN-UHFFFAOYSA-N
Compound name
15,16-dimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-11,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

321.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 172.4
[M+Na]+ 344.08932 189.8
[M+NH4]+ 339.13392 181.1
[M+K]+ 360.06326 181.3
[M-H]- 320.09282 175.6
[M+Na-2H]- 342.07477 177.4
[M]+ 321.09955 176.0
[M]- 321.10065 176.0
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