CID 158308

Anguvetin

Structural Information

Molecular Formula

C₂₄H₂₄O₅

SMILES

CC1=C(C(=C(C(=C1OC)C(=O)CCC2=CC=CC=C2)O)CC3=CC=CC=C3O)O

InChI

InChI=1S/C24H24O5/c1-15-22(27)18(14-17-10-6-7-11-19(17)25)23(28)21(24(15)29-2)20(26)13-12-16-8-4-3-5-9-16/h3-11,25,27-28H,12-14H2,1-2H3

InChIKey

AJLNIEILVUYJPG-UHFFFAOYSA-N

Compound name

1-[2,4-dihydroxy-3-[(2-hydroxyphenyl)methyl]-6-methoxy-5-methylphenyl]-3-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 392.16238 Da
Monoisotopic Mass: 5.2
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]+	393.169656	194.6
[M+Na]+	415.151598	201.4
[M-H]-	391.155104	200.9
[M+NH4]+	410.196203	203.9
[M+K]+	431.125538	196.1
[M+H-H2O]+	375.159640	185.4
[M+HCOO]-	437.160581	212.2
[M+CH3COO]-	451.176231	218.7
[M+Na-2H]-	413.137046	193.1
[M]+	392.16183142	197.1
[M]-	392.16292858	197.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.