CID 5318990

Licoagrochalcone c

Structural Information

Molecular Formula

C₂₁H₂₂O₅

SMILES

CC(=CCC1=C(C=CC(=C1OC)/C=C/C(=O)C2=CC(=C(C=C2)O)O)O)C

InChI

InChI=1S/C21H22O5/c1-13(2)4-8-16-18(23)10-6-14(21(16)26-3)5-9-17(22)15-7-11-19(24)20(25)12-15/h4-7,9-12,23-25H,8H2,1-3H3/b9-5+

InChIKey

RDYZHQQZLIBKBP-WEVVVXLNSA-N

Compound name

(E)-1-(3,4-dihydroxyphenyl)-3-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 0
Patents: 354.14673 Da
Monoisotopic Mass: 4.5
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	183.7
[M+Na]+	377.135948	190.3
[M-H]-	353.139454	186.7
[M+NH4]+	372.180553	194.8
[M+K]+	393.109888	185.1
[M+H-H2O]+	337.143990	176.3
[M+HCOO]-	399.144931	200.6
[M+CH3COO]-	413.160581	210.5
[M+Na-2H]-	375.121396	180.9
[M]+	354.14618142	185.3
[M]-	354.14727858	185.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.