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 179.9
[M+Na]+ 365.13595 185.4
[M-H]- 341.13945 181.9
[M+NH4]+ 360.18055 191.6
[M+K]+ 381.10989 180.1
[M+H-H2O]+ 325.14399 172.6
[M+HCOO]- 387.14493 193.0
[M+CH3COO]- 401.16058 205.3
[M+Na-2H]- 363.12140 179.7
[M]+ 342.14618 177.4
[M]- 342.14728 177.4
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.