CID 90470443

Aflatoxin exb2

Structural Information

Molecular Formula
C19H18O7
SMILES
CCOC1CC2C(O1)OC3=CC(=C4C5=C(C(=O)CC5)C(=O)OC4=C23)OC
InChI
InChI=1S/C19H18O7/c1-3-23-13-6-9-16-12(24-19(9)25-13)7-11(22-2)15-8-4-5-10(20)14(8)18(21)26-17(15)16/h7,9,13,19H,3-6H2,1-2H3
InChIKey
PPRSMUWPTLLGMJ-UHFFFAOYSA-N
Compound name
5-ethoxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,9,11,13(17)-tetraene-16,18-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10526 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11254 176.2
[M+Na]+ 381.09448 187.4
[M+NH4]+ 376.13908 184.0
[M+K]+ 397.06842 189.0
[M-H]- 357.09798 181.2
[M+Na-2H]- 379.07993 173.5
[M]+ 358.10471 179.1
[M]- 358.10581 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.