CID 44260111

Methylsainfuran

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=CC(=C(C=C1)C2=CC3=CC(=C(C=C3O2)OC)O)OC
InChI
InChI=1S/C17H16O5/c1-19-11-4-5-12(15(8-11)20-2)16-7-10-6-13(18)17(21-3)9-14(10)22-16/h4-9,18H,1-3H3
InChIKey
XHPVKSBYQJUMTF-UHFFFAOYSA-N
Compound name
2-(2,4-dimethoxyphenyl)-6-methoxy-1-benzofuran-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.09976 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 165.3
[M+Na]+ 323.08898 176.6
[M-H]- 299.09248 174.1
[M+NH4]+ 318.13358 182.1
[M+K]+ 339.06292 174.8
[M+H-H2O]+ 283.09702 158.7
[M+HCOO]- 345.09796 189.2
[M+CH3COO]- 359.11361 202.2
[M+Na-2H]- 321.07443 170.2
[M]+ 300.09921 174.4
[M]- 300.10031 174.4
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.