CID 71435886

Aflatoxin ex2b1

Structural Information

Molecular Formula
C18H16O7
SMILES
COC1CC2C(O1)OC3=CC(=C4C5=C(C(=O)CC5)C(=O)OC4=C23)OC
InChI
InChI=1S/C18H16O7/c1-21-10-6-11-15(8-5-12(22-2)24-18(8)23-11)16-14(10)7-3-4-9(19)13(7)17(20)25-16/h6,8,12,18H,3-5H2,1-2H3
InChIKey
QKCJGDIUSFKBPI-UHFFFAOYSA-N
Compound name
5,11-dimethoxy-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

344.0896 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.09688 171.7
[M+Na]+ 367.07882 183.2
[M+NH4]+ 362.12342 179.6
[M+K]+ 383.05276 184.9
[M-H]- 343.08232 176.7
[M+Na-2H]- 365.06427 169.3
[M]+ 344.08905 174.7
[M]- 344.09015 174.7
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.