CID 131753134

1,2,3,4-tetrahydro-1-[1-hydroxy-3-(4-hydroxyphenyl)-2-propenyl]-7-methoxy-2,6-naphthalenediol

Structural Information

Molecular Formula
C20H22O5
SMILES
COC1=C(C=C2CCC(C(C2=C1)C(/C=C\C3=CC=C(C=C3)O)O)O)O
InChI
InChI=1S/C20H22O5/c1-25-19-11-15-13(10-18(19)24)5-9-17(23)20(15)16(22)8-4-12-2-6-14(21)7-3-12/h2-4,6-8,10-11,16-17,20-24H,5,9H2,1H3/b8-4-
InChIKey
WCBFHZJDMQCSLQ-YWEYNIOJSA-N
Compound name
1-[(Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enyl]-7-methoxy-1,2,3,4-tetrahydronaphthalene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.14673 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 180.9
[M+Na]+ 365.13595 192.7
[M+NH4]+ 360.18055 187.1
[M+K]+ 381.10989 187.0
[M-H]- 341.13945 183.0
[M+Na-2H]- 363.12140 184.5
[M]+ 342.14618 182.9
[M]- 342.14728 182.9
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.