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
2
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 184.0
[M+Na]+ 377.13595 190.7
[M-H]- 353.13945 189.9
[M+NH4]+ 372.18055 197.2
[M+K]+ 393.10989 187.5
[M+H-H2O]+ 337.14399 177.9
[M+HCOO]- 399.14493 199.8
[M+CH3COO]- 413.16058 210.5
[M+Na-2H]- 375.12140 185.2
[M]+ 354.14618 186.8
[M]- 354.14728 186.8
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.