CID 373289

Nsc649438

Structural Information

Molecular Formula
C20H20O3
SMILES
CCOC1(C2=CC=CC=C2C(=O)O1)CC3=CC=CC=C3CC=C
InChI
InChI=1S/C20H20O3/c1-3-9-15-10-5-6-11-16(15)14-20(22-4-2)18-13-8-7-12-17(18)19(21)23-20/h3,5-8,10-13H,1,4,9,14H2,2H3
InChIKey
PHYYDUBHPOXQAC-UHFFFAOYSA-N
Compound name
3-ethoxy-3-[(2-prop-2-enylphenyl)methyl]-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.14124 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 172.6
[M+Na]+ 331.13046 181.3
[M-H]- 307.13396 181.0
[M+NH4]+ 326.17506 191.1
[M+K]+ 347.10440 177.3
[M+H-H2O]+ 291.13850 165.7
[M+HCOO]- 353.13944 194.2
[M+CH3COO]- 367.15509 205.3
[M+Na-2H]- 329.11591 176.7
[M]+ 308.14069 176.9
[M]- 308.14179 176.9
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.