CID 9950307

164391-52-0

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5545
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

literature stripe

Patent stripe

patents stripe