CID 21626714

6-prenylcatechin

Structural Information

Molecular Formula
C20H22O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)O[C@@H]([C@H](C2)O)C3=CC(=C(C=C3)O)O)O)C
InChI
InChI=1S/C20H22O6/c1-10(2)3-5-12-15(22)9-18-13(19(12)25)8-17(24)20(26-18)11-4-6-14(21)16(23)7-11/h3-4,6-7,9,17,20-25H,5,8H2,1-2H3/t17-,20+/m0/s1
InChIKey
IQDFKWMQHFUYNY-FXAWDEMLSA-N
Compound name
(2R,3S)-2-(3,4-dihydroxyphenyl)-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14163 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14891 184.8
[M+Na]+ 381.13085 191.6
[M-H]- 357.13435 187.0
[M+NH4]+ 376.17545 194.4
[M+K]+ 397.10479 187.6
[M+H-H2O]+ 341.13889 177.8
[M+HCOO]- 403.13983 195.5
[M+CH3COO]- 417.15548 208.9
[M+Na-2H]- 379.11630 183.6
[M]+ 358.14108 183.7
[M]- 358.14218 183.7
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

No patent data available for this compound.