CID 9798510

169198-26-9

Structural Information

Molecular Formula
C24H30O2
SMILES
CC1=C(C(=CC=C1)C2C3=C(C(=CC(=C3)C(C)(C)C)C(C)(C)C)OC2=O)C
InChI
InChI=1S/C24H30O2/c1-14-10-9-11-17(15(14)2)20-18-12-16(23(3,4)5)13-19(24(6,7)8)21(18)26-22(20)25/h9-13,20H,1-8H3
InChIKey
JFYKXFLSIZYLRY-UHFFFAOYSA-N
Compound name
5,7-ditert-butyl-3-(2,3-dimethylphenyl)-3H-1-benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3225
Patents

350.22458 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.23186 187.1
[M+Na]+ 373.21380 196.4
[M-H]- 349.21730 196.3
[M+NH4]+ 368.25840 203.3
[M+K]+ 389.18774 192.9
[M+H-H2O]+ 333.22184 181.6
[M+HCOO]- 395.22278 203.7
[M+CH3COO]- 409.23843 219.9
[M+Na-2H]- 371.19925 188.3
[M]+ 350.22403 191.9
[M]- 350.22513 191.9
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

patents stripe