CID 71597469

2-methoxy-4-(3-methyl-5-propyl-benzofuran-2-yl)phenol

Structural Information

Molecular Formula
C19H20O3
SMILES
CCCC1=CC2=C(C=C1)OC(=C2C)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C19H20O3/c1-4-5-13-6-9-17-15(10-13)12(2)19(22-17)14-7-8-16(20)18(11-14)21-3/h6-11,20H,4-5H2,1-3H3
InChIKey
DWPQPVOPTHQCNY-UHFFFAOYSA-N
Compound name
2-methoxy-4-(3-methyl-5-propyl-1-benzofuran-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.14124 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14852 169.0
[M+Na]+ 319.13046 179.9
[M-H]- 295.13396 177.4
[M+NH4]+ 314.17506 186.2
[M+K]+ 335.10440 176.1
[M+H-H2O]+ 279.13850 162.4
[M+HCOO]- 341.13944 191.8
[M+CH3COO]- 355.15509 203.8
[M+Na-2H]- 317.11591 172.5
[M]+ 296.14069 175.9
[M]- 296.14179 175.9
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.