CID 44257469

Lmpk12070095

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(=CCC1=C(C2=C(C=C1O)OCC3C2OC4=C3C=CC(=C4)O)OC)C
InChI
InChI=1S/C21H22O5/c1-11(2)4-6-14-16(23)9-18-19(20(14)24-3)21-15(10-25-18)13-7-5-12(22)8-17(13)26-21/h4-5,7-9,15,21-23H,6,10H2,1-3H3
InChIKey
HCBAFFVITJAXJE-UHFFFAOYSA-N
Compound name
1-methoxy-2-(3-methylbut-2-enyl)-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-3,9-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14673 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 183.8
[M+Na]+ 377.13595 192.0
[M-H]- 353.13945 189.0
[M+NH4]+ 372.18055 198.2
[M+K]+ 393.10989 189.2
[M+H-H2O]+ 337.14399 177.9
[M+HCOO]- 399.14493 196.3
[M+CH3COO]- 413.16058 194.0
[M+Na-2H]- 375.12140 185.4
[M]+ 354.14618 187.7
[M]- 354.14728 187.7
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.