CID 131752533

4-[(z)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one

Structural Information

Molecular Formula
C21H22O5
SMILES
C/C(=C/COC1=C2C=CC(=O)OC2=CC3=C1C=CO3)/CCC4C(O4)(C)C
InChI
InChI=1S/C21H22O5/c1-13(4-6-18-21(2,3)26-18)8-10-24-20-14-5-7-19(22)25-17(14)12-16-15(20)9-11-23-16/h5,7-9,11-12,18H,4,6,10H2,1-3H3/b13-8-
InChIKey
OOKSPQLCQUBEKU-JYRVWZFOSA-N
Compound name
4-[(Z)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enoxy]furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.14673 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.154006 181.9
[M+Na]+ 377.135948 194.3
[M-H]- 353.139454 193.7
[M+NH4]+ 372.180553 192.6
[M+K]+ 393.109888 193.4
[M+H-H2O]+ 337.143990 175.7
[M+HCOO]- 399.144931 200.6
[M+CH3COO]- 413.160581 216.5
[M+Na-2H]- 375.121396 187.6
[M]+ 354.14618142 195.4
[M]- 354.14727858 195.4
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.