CID 44257329

Glabrescione a

Structural Information

Molecular Formula
C22H18O6
SMILES
CC(=C)C1CC2=C(O1)C=C3C(=C2OC)C(=O)C(=CO3)C4=CC5=C(C=C4)OCO5
InChI
InChI=1S/C22H18O6/c1-11(2)16-7-13-17(28-16)8-19-20(22(13)24-3)21(23)14(9-25-19)12-4-5-15-18(6-12)27-10-26-15/h4-6,8-9,16H,1,7,10H2,2-3H3
InChIKey
HTXILQWAWXIRPW-UHFFFAOYSA-N
Compound name
6-(1,3-benzodioxol-5-yl)-4-methoxy-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.11035 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.11763 186.8
[M+Na]+ 401.09957 197.1
[M-H]- 377.10307 199.8
[M+NH4]+ 396.14417 200.1
[M+K]+ 417.07351 197.3
[M+H-H2O]+ 361.10761 182.3
[M+HCOO]- 423.10855 202.5
[M+CH3COO]- 437.12420 199.1
[M+Na-2H]- 399.08502 188.4
[M]+ 378.10980 194.9
[M]- 378.11090 194.9
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.