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
1
Annotation Hits

0
References

119
Patents

350.22458 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.23186 189.3
[M+Na]+ 373.21380 197.7
[M-H]- 349.21730 197.7
[M+NH4]+ 368.25840 205.0
[M+K]+ 389.18774 192.7
[M+H-H2O]+ 333.22184 182.0
[M+HCOO]- 395.22278 209.0
[M+CH3COO]- 409.23843 220.0
[M+Na-2H]- 371.19925 187.9
[M]+ 350.22403 195.0
[M]- 350.22513 195.0
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

patents stripe