CID 3559400

Akos032948945

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)OC)C
InChI
InChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3
InChIKey
ZHPYEBFYLDGZKF-UHFFFAOYSA-N
Compound name
9-methoxy-10-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzofuro[3,2-c]chromene-3,6a-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

11
Patents

354.14673 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 183.3
[M+Na]+ 377.13595 191.9
[M-H]- 353.13945 188.5
[M+NH4]+ 372.18055 199.6
[M+K]+ 393.10989 189.1
[M+H-H2O]+ 337.14399 177.5
[M+HCOO]- 399.14493 195.9
[M+CH3COO]- 413.16058 193.7
[M+Na-2H]- 375.12140 186.9
[M]+ 354.14618 187.3
[M]- 354.14728 187.3
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