CID 44257482

Sandwicarpin

Structural Information

Molecular Formula
C20H20O5
SMILES
CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)O)C
InChI
InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-7-15-18(13)25-19-14-6-4-12(21)9-17(14)24-10-20(15,19)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3
InChIKey
KCPOABHOARKIRX-UHFFFAOYSA-N
Compound name
10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a,9-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 179.0
[M+Na]+ 363.12029 187.6
[M-H]- 339.12379 183.0
[M+NH4]+ 358.16489 195.1
[M+K]+ 379.09423 184.3
[M+H-H2O]+ 323.12833 173.6
[M+HCOO]- 385.12927 190.4
[M+CH3COO]- 399.14492 189.2
[M+Na-2H]- 361.10574 182.7
[M]+ 340.13052 181.0
[M]- 340.13162 181.0
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

No patent data available for this compound.