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]+ 355.11763 180.7
[M+Na]+ 377.09957 189.0
[M-H]- 353.10307 187.4
[M+NH4]+ 372.14417 193.1
[M+K]+ 393.07351 186.2
[M+H-H2O]+ 337.10761 175.0
[M+HCOO]- 399.10855 192.8
[M+CH3COO]- 413.12420 190.9
[M+Na-2H]- 375.08502 180.6
[M]+ 354.10980 181.4
[M]- 354.11090 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.