CID 13844291

Arisantetralone b

Structural Information

Molecular Formula
C20H22O5
SMILES
C[C@@H]1[C@@H](C(=O)C2=CC(=C(C=C2[C@H]1C3=CC(=C(C=C3)O)OC)O)OC)C
InChI
InChI=1S/C20H22O5/c1-10-11(2)20(23)14-9-18(25-4)16(22)8-13(14)19(10)12-5-6-15(21)17(7-12)24-3/h5-11,19,21-22H,1-4H3/t10-,11+,19-/m1/s1
InChIKey
WFNWOPFVZGRWFA-RMDKCXRXSA-N
Compound name
(2S,3S,4R)-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-2,3-dimethyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

342.14673 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 179.0
[M+Na]+ 365.13595 188.3
[M-H]- 341.13945 184.9
[M+NH4]+ 360.18055 193.1
[M+K]+ 381.10989 184.4
[M+H-H2O]+ 325.14399 171.6
[M+HCOO]- 387.14493 196.0
[M+CH3COO]- 401.16058 213.4
[M+Na-2H]- 363.12140 178.9
[M]+ 342.14618 182.1
[M]- 342.14728 182.1
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.