CID 56846395

181314-48-7

Structural Information

Molecular Formula

C₂₄H₃₀O₂

SMILES

CCCCC1C2=C(C=CC(=C2CCCC)C3=C(C=C(C=C3)C)C)OC1=O

InChI

InChI=1S/C24H30O2/c1-5-7-9-20-19(18-12-11-16(3)15-17(18)4)13-14-22-23(20)21(10-8-6-2)24(25)26-22/h11-15,21H,5-10H2,1-4H3

InChIKey

BNAOQKULFPHAHL-UHFFFAOYSA-N

Compound name

3,4-dibutyl-5-(2,4-dimethylphenyl)-3H-1-benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 348
Patents: 350.22458 Da
Monoisotopic Mass: 7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	351.231856	189.3
[M+Na]+	373.213798	197.7
[M-H]-	349.217304	197.7
[M+NH4]+	368.258403	205.0
[M+K]+	389.187738	192.7
[M+H-H2O]+	333.221840	182.0
[M+HCOO]-	395.222781	209.0
[M+CH3COO]-	409.238431	220.0
[M+Na-2H]-	371.199246	187.9
[M]+	350.22403142	195.0
[M]-	350.22512858	195.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe