CID 158029

82039-13-2

Structural Information

Molecular Formula
C20H24O7
SMILES
COC1=C(C=CC(=C1)CC2C(COC2O)C(C3=CC(=C(C=C3)O)OC)O)O
InChI
InChI=1S/C20H24O7/c1-25-17-8-11(3-5-15(17)21)7-13-14(10-27-20(13)24)19(23)12-4-6-16(22)18(9-12)26-2/h3-6,8-9,13-14,19-24H,7,10H2,1-2H3
InChIKey
VUKYFJWPBAAZAU-UHFFFAOYSA-N
Compound name
4-[hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

376.1522 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.159476 186.4
[M+Na]+ 399.141418 191.8
[M-H]- 375.144924 192.2
[M+NH4]+ 394.186023 196.1
[M+K]+ 415.115358 189.7
[M+H-H2O]+ 359.149460 179.2
[M+HCOO]- 421.150401 201.2
[M+CH3COO]- 435.166051 210.8
[M+Na-2H]- 397.126866 183.6
[M]+ 376.15165142 188.2
[M]- 376.15274858 188.2
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