CID 107702

Altertoxin ii

Structural Information

Molecular Formula
C20H14O6
SMILES
C1CC2(C3C4C(O4)C(=O)C5=C(C=CC(=C35)C6=C2C(=C(C=C6)O)C1=O)O)O
InChI
InChI=1S/C20H14O6/c21-9-4-2-8-7-1-3-10(22)14-12(7)16(18-19(26-18)17(14)24)20(25)6-5-11(23)13(9)15(8)20/h1-4,16,18-19,21-22,25H,5-6H2
InChIKey
UBVHBTLDPUYTDO-UHFFFAOYSA-N
Compound name
5,10,17-trihydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

11
Patents

350.07904 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.08632 178.8
[M+Na]+ 373.06826 194.7
[M+NH4]+ 368.11286 189.8
[M+K]+ 389.04220 187.6
[M-H]- 349.07176 189.2
[M+Na-2H]- 371.05371 181.9
[M]+ 350.07849 185.5
[M]- 350.07959 185.5
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