CID 480816

Gancaonin s

Structural Information

Molecular Formula
C24H30O4
SMILES
CC(=CCC1=C(C(=C(C=C1CCC2=CC(=C(C=C2)O)O)O)CC=C(C)C)O)C
InChI
InChI=1S/C24H30O4/c1-15(2)5-10-19-18(9-7-17-8-12-21(25)23(27)13-17)14-22(26)20(24(19)28)11-6-16(3)4/h5-6,8,12-14,25-28H,7,9-11H2,1-4H3
InChIKey
VLJOWGMLRJTNDQ-UHFFFAOYSA-N
Compound name
5-[2-(3,4-dihydroxyphenyl)ethyl]-2,4-bis(3-methylbut-2-enyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

382.21442 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.22170 195.5
[M+Na]+ 405.20364 201.2
[M-H]- 381.20714 197.0
[M+NH4]+ 400.24824 205.3
[M+K]+ 421.17758 194.6
[M+H-H2O]+ 365.21168 188.3
[M+HCOO]- 427.21262 209.5
[M+CH3COO]- 441.22827 217.1
[M+Na-2H]- 403.18909 189.9
[M]+ 382.21387 196.1
[M]- 382.21497 196.1
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.