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]+ 339.159076 178.5
[M+Na]+ 361.141018 191.1
[M-H]- 337.144524 190.3
[M+NH4]+ 356.185623 189.9
[M+K]+ 377.114958 189.7
[M+H-H2O]+ 321.149060 172.4
[M+HCOO]- 383.150001 197.1
[M+CH3COO]- 397.165651 191.2
[M+Na-2H]- 359.126466 184.0
[M]+ 338.15125142 190.5
[M]- 338.15234858 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.