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 178.5
[M+Na]+ 361.14102 191.1
[M-H]- 337.14452 190.3
[M+NH4]+ 356.18562 189.9
[M+K]+ 377.11496 189.7
[M+H-H2O]+ 321.14906 172.4
[M+HCOO]- 383.15000 197.1
[M+CH3COO]- 397.16565 191.2
[M+Na-2H]- 359.12647 184.0
[M]+ 338.15125 190.5
[M]- 338.15235 190.5
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.