CID 44150555

93803-63-5

Structural Information

Molecular Formula
C27H40O2
SMILES
CCC1=CC(=C(C(=C1C)CC2=C(C(=CC(=C2O)C(C)(C)C)CC)C)O)C(C)(C)C
InChI
InChI=1S/C27H40O2/c1-11-18-13-22(26(5,6)7)24(28)20(16(18)3)15-21-17(4)19(12-2)14-23(25(21)29)27(8,9)10/h13-14,28-29H,11-12,15H2,1-10H3
InChIKey
JTOIRRMZJBJBFB-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-[(3-tert-butyl-5-ethyl-2-hydroxy-6-methylphenyl)methyl]-4-ethyl-3-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

396.30283 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.31011 200.7
[M+Na]+ 419.29205 208.7
[M-H]- 395.29555 205.6
[M+NH4]+ 414.33665 212.8
[M+K]+ 435.26599 203.5
[M+H-H2O]+ 379.30009 194.3
[M+HCOO]- 441.30103 214.7
[M+CH3COO]- 455.31668 229.5
[M+Na-2H]- 417.27750 197.7
[M]+ 396.30228 205.6
[M]- 396.30338 205.6
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