CID 466077

Thannilignan

Structural Information

Molecular Formula
C19H22O5
SMILES
COC1=CC(=C(C=C1)CC(CO)(C(=C)CC2=CC=C(C=C2)O)O)O
InChI
InChI=1S/C19H22O5/c1-13(9-14-3-6-16(21)7-4-14)19(23,12-20)11-15-5-8-17(24-2)10-18(15)22/h3-8,10,20-23H,1,9,11-12H2,2H3
InChIKey
UICXJFXGPMLFAQ-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-4-methoxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]but-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

330.14673 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15401 177.8
[M+Na]+ 353.13595 183.0
[M-H]- 329.13945 179.1
[M+NH4]+ 348.18055 188.8
[M+K]+ 369.10989 178.4
[M+H-H2O]+ 313.14399 170.9
[M+HCOO]- 375.14493 193.0
[M+CH3COO]- 389.16058 201.9
[M+Na-2H]- 351.12140 179.2
[M]+ 330.14618 177.8
[M]- 330.14728 177.8
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.