CID 129901780

Schembl28664208

Structural Information

Molecular Formula

C₂₀H₂₄O₆

SMILES

COC1=C(C=CC(=C1)CC(CO)C2(CO2)CC3=CC(=C(C=C3)O)OC)O

InChI

InChI=1S/C20H24O6/c1-24-18-8-13(3-5-16(18)22)7-15(11-21)20(12-26-20)10-14-4-6-17(23)19(9-14)25-2/h3-6,8-9,15,21-23H,7,10-12H2,1-2H3

InChIKey

GSCHVLOLTMYNAH-UHFFFAOYSA-N

Compound name

4-[3-hydroxy-2-[2-[(4-hydroxy-3-methoxyphenyl)methyl]oxiran-2-yl]propyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 360.1573 Da
Monoisotopic Mass: 2.5
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]+	361.164576	178.5
[M+Na]+	383.146518	186.6
[M-H]-	359.150024	186.1
[M+NH4]+	378.191123	185.5
[M+K]+	399.120458	184.4
[M+H-H2O]+	343.154560	171.6
[M+HCOO]-	405.155501	195.7
[M+CH3COO]-	419.171151	211.3
[M+Na-2H]-	381.131966	181.3
[M]+	360.15675142	186.3
[M]-	360.15784858	186.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe