CID 71588211

5-(3-methyl-5-propyl-benzofuran-2-yl)-1,3-benzodioxole

Structural Information

Molecular Formula
C19H18O3
SMILES
CCCC1=CC2=C(C=C1)OC(=C2C)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H18O3/c1-3-4-13-5-7-16-15(9-13)12(2)19(22-16)14-6-8-17-18(10-14)21-11-20-17/h5-10H,3-4,11H2,1-2H3
InChIKey
SMLFTGJEZPYAKB-UHFFFAOYSA-N
Compound name
5-(3-methyl-5-propyl-1-benzofuran-2-yl)-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.12558 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.13286 167.6
[M+Na]+ 317.11480 178.7
[M-H]- 293.11830 179.2
[M+NH4]+ 312.15940 185.3
[M+K]+ 333.08874 177.3
[M+H-H2O]+ 277.12284 162.9
[M+HCOO]- 339.12378 189.1
[M+CH3COO]- 353.13943 181.7
[M+Na-2H]- 315.10025 172.1
[M]+ 294.12503 175.2
[M]- 294.12613 175.2
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.