CID 131753135

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

Structural Information

Molecular Formula
C21H24O5
SMILES
COC1=C(C=C2C(C(CCC2=C1)O)C(/C=C\C3=CC=C(C=C3)O)O)OC
InChI
InChI=1S/C21H24O5/c1-25-19-11-14-6-10-18(24)21(16(14)12-20(19)26-2)17(23)9-5-13-3-7-15(22)8-4-13/h3-5,7-9,11-12,17-18,21-24H,6,10H2,1-2H3/b9-5-
InChIKey
KAYRJPGARKNUEX-UITAMQMPSA-N
Compound name
1-[(Z)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enyl]-6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.16238 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.16966 184.2
[M+Na]+ 379.15160 189.7
[M-H]- 355.15510 187.4
[M+NH4]+ 374.19620 196.0
[M+K]+ 395.12554 185.0
[M+H-H2O]+ 339.15964 176.4
[M+HCOO]- 401.16058 198.5
[M+CH3COO]- 415.17623 210.3
[M+Na-2H]- 377.13705 183.9
[M]+ 356.16183 183.8
[M]- 356.16293 183.8
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.