CID 5281724

4-prenyloxyresveratrol

Structural Information

Molecular Formula
C19H20O4
SMILES
CC(=CCC1=C(C=C(C=C1O)/C=C/C2=C(C=C(C=C2)O)O)O)C
InChI
InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-7,9-11,20-23H,8H2,1-2H3/b5-4+
InChIKey
FEHGVKWVMWWVQZ-SNAWJCMRSA-N
Compound name
5-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

312.13617 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 174.0
[M+Na]+ 335.12539 181.4
[M-H]- 311.12889 176.0
[M+NH4]+ 330.16999 186.5
[M+K]+ 351.09933 175.0
[M+H-H2O]+ 295.13343 167.4
[M+HCOO]- 357.13437 190.8
[M+CH3COO]- 371.15002 199.9
[M+Na-2H]- 333.11084 172.8
[M]+ 312.13562 173.0
[M]- 312.13672 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe