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
2
Annotation Hits

10
References

80
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

literature stripe

Patent stripe

patents stripe