CID 42607866

Emoroidenone

Structural Information

Molecular Formula
C21H20O4
SMILES
CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C(=O)CC(O3)C4=CC=CC=C4
InChI
InChI=1S/C21H20O4/c1-12(2)16-9-14-18(24-16)11-19(23-3)20-15(22)10-17(25-21(14)20)13-7-5-4-6-8-13/h4-8,11,16-17H,1,9-10H2,2-3H3
InChIKey
ILWIXDUFMCFWAS-UHFFFAOYSA-N
Compound name
5-methoxy-2-phenyl-8-prop-1-en-2-yl-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.13617 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.14345 178.8
[M+Na]+ 359.12539 186.7
[M-H]- 335.12889 188.6
[M+NH4]+ 354.16999 193.7
[M+K]+ 375.09933 184.3
[M+H-H2O]+ 319.13343 171.9
[M+HCOO]- 381.13437 194.9
[M+CH3COO]- 395.15002 190.2
[M+Na-2H]- 357.11084 180.1
[M]+ 336.13562 181.1
[M]- 336.13672 181.1
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.