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]+ 337.143446 178.8
[M+Na]+ 359.125388 186.7
[M-H]- 335.128894 188.6
[M+NH4]+ 354.169993 193.7
[M+K]+ 375.099328 184.3
[M+H-H2O]+ 319.133430 171.9
[M+HCOO]- 381.134371 194.9
[M+CH3COO]- 395.150021 190.2
[M+Na-2H]- 357.110836 180.1
[M]+ 336.13562142 181.1
[M]- 336.13671858 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.