CID 12310896

Isoderricidin

Structural Information

Molecular Formula
C20H20O3
SMILES
CC(=CCOC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3)C
InChI
InChI=1S/C20H20O3/c1-14(2)10-11-22-16-8-9-17-18(21)13-19(23-20(17)12-16)15-6-4-3-5-7-15/h3-10,12,19H,11,13H2,1-2H3
InChIKey
GIXIYAFVCREOAY-UHFFFAOYSA-N
Compound name
7-(3-methylbut-2-enoxy)-2-phenyl-2,3-dihydrochromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.14124 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 172.8
[M+Na]+ 331.13046 179.2
[M-H]- 307.13396 180.5
[M+NH4]+ 326.17506 187.1
[M+K]+ 347.10440 175.8
[M+H-H2O]+ 291.13850 164.4
[M+HCOO]- 353.13944 191.1
[M+CH3COO]- 367.15509 206.7
[M+Na-2H]- 329.11591 176.2
[M]+ 308.14069 173.7
[M]- 308.14179 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.