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

7
Patents

396.30283 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.310106 200.7
[M+Na]+ 419.292048 208.7
[M-H]- 395.295554 205.6
[M+NH4]+ 414.336653 212.8
[M+K]+ 435.265988 203.5
[M+H-H2O]+ 379.300090 194.3
[M+HCOO]- 441.301031 214.7
[M+CH3COO]- 455.316681 229.5
[M+Na-2H]- 417.277496 197.7
[M]+ 396.30228142 205.6
[M]- 396.30337858 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