CID 5318991

Licoagrochalcone d

Structural Information

Molecular Formula
C21H22O5
SMILES
CC(C)(C1CC2=C(O1)C=CC(=C2OC)/C=C/C(=O)C3=CC=C(C=C3)O)O
InChI
InChI=1S/C21H22O5/c1-21(2,24)19-12-16-18(26-19)11-7-14(20(16)25-3)6-10-17(23)13-4-8-15(22)9-5-13/h4-11,19,22,24H,12H2,1-3H3/b10-6+
InChIKey
FMKHMNBODOXQLQ-UXBLZVDNSA-N
Compound name
(E)-1-(4-hydroxyphenyl)-3-[2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.14673 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 183.1
[M+Na]+ 377.13595 194.4
[M+NH4]+ 372.18055 189.0
[M+K]+ 393.10989 191.4
[M-H]- 353.13945 185.8
[M+Na-2H]- 375.12140 186.4
[M]+ 354.14618 185.4
[M]- 354.14728 185.4
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.