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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.154006	184.0
[M+Na]+	377.135948	190.7
[M-H]-	353.139454	189.9
[M+NH4]+	372.180553	197.2
[M+K]+	393.109888	187.5
[M+H-H2O]+	337.143990	177.9
[M+HCOO]-	399.144931	199.8
[M+CH3COO]-	413.160581	210.5
[M+Na-2H]-	375.121396	185.2
[M]+	354.14618142	186.8
[M]-	354.14727858	186.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.