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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16458 178.5
[M+Na]+ 383.14652 186.6
[M-H]- 359.15002 186.1
[M+NH4]+ 378.19112 185.5
[M+K]+ 399.12046 184.4
[M+H-H2O]+ 343.15456 171.6
[M+HCOO]- 405.15550 195.7
[M+CH3COO]- 419.17115 211.3
[M+Na-2H]- 381.13197 181.3
[M]+ 360.15675 186.3
[M]- 360.15785 186.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe