CID 485186

Egonol

Structural Information

Molecular Formula
C19H18O5
SMILES
COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCO
InChI
InChI=1S/C19H18O5/c1-21-18-8-12(3-2-6-20)7-14-10-16(24-19(14)18)13-4-5-15-17(9-13)23-11-22-15/h4-5,7-10,20H,2-3,6,11H2,1H3
InChIKey
VOLZBKQSLGCZGC-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

98
Patents

326.11542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12270 172.9
[M+Na]+ 349.10464 183.0
[M-H]- 325.10814 183.3
[M+NH4]+ 344.14924 188.4
[M+K]+ 365.07858 182.2
[M+H-H2O]+ 309.11268 168.1
[M+HCOO]- 371.11362 193.2
[M+CH3COO]- 385.12927 186.0
[M+Na-2H]- 347.09009 177.5
[M]+ 326.11487 181.7
[M]- 326.11597 181.7
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.