CID 42607990

Velloeriodictyol

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(=C)C1CC2=C(C3=C(C=C2O1)OC(CC3=O)C4=CC(=C(C=C4)O)O)O
InChI
InChI=1S/C20H18O6/c1-9(2)15-6-11-17(25-15)8-18-19(20(11)24)14(23)7-16(26-18)10-3-4-12(21)13(22)5-10/h3-5,8,15-16,21-22,24H,1,6-7H2,2H3
InChIKey
LERYOHZJWRNSNO-UHFFFAOYSA-N
Compound name
7-(3,4-dihydroxyphenyl)-4-hydroxy-2-prop-1-en-2-yl-2,3,6,7-tetrahydrofuro[3,2-g]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.11035 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.117626 180.7
[M+Na]+ 377.099568 189.0
[M-H]- 353.103074 187.4
[M+NH4]+ 372.144173 193.1
[M+K]+ 393.073508 186.2
[M+H-H2O]+ 337.107610 175.0
[M+HCOO]- 399.108551 192.8
[M+CH3COO]- 413.124201 190.9
[M+Na-2H]- 375.085016 180.6
[M]+ 354.10980142 181.4
[M]- 354.11089858 181.4
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

No patent data available for this compound.