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

53
Patents

376.1522 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15948 186.4
[M+Na]+ 399.14142 191.8
[M-H]- 375.14492 192.2
[M+NH4]+ 394.18602 196.1
[M+K]+ 415.11536 189.7
[M+H-H2O]+ 359.14946 179.2
[M+HCOO]- 421.15040 201.2
[M+CH3COO]- 435.16605 210.8
[M+Na-2H]- 397.12687 183.6
[M]+ 376.15165 188.2
[M]- 376.15275 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