CID 101046548

4-((e)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl)furo(3,2-g)chromen-7-one

Structural Information

Molecular Formula
C21H22O4
SMILES
C/C(=C\CC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC4C(O4)(C)C
InChI
InChI=1S/C21H22O4/c1-13(5-8-19-21(2,3)25-19)4-6-14-15-7-9-20(22)24-18(15)12-17-16(14)10-11-23-17/h4,7,9-12,19H,5-6,8H2,1-3H3/b13-4+
InChIKey
YQPVWEKJOIKMRY-YIXHJXPBSA-N
Compound name
4-[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1518 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 179.5
[M+Na]+ 361.14102 196.3
[M+NH4]+ 356.18562 189.5
[M+K]+ 377.11496 190.4
[M-H]- 337.14452 194.1
[M+Na-2H]- 359.12647 187.4
[M]+ 338.15125 187.7
[M]- 338.15235 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.