CID 44145130

84604-88-6

Structural Information

Molecular Formula
C25H36O2
SMILES
CC1=C(C(=C(C=C1CC2=CC(=C(C(=C2C)C)O)C(C)(C)C)C(C)(C)C)O)C
InChI
InChI=1S/C25H36O2/c1-14-16(3)22(26)20(24(5,6)7)12-18(14)11-19-13-21(25(8,9)10)23(27)17(4)15(19)2/h12-13,26-27H,11H2,1-10H3
InChIKey
WWJFRZVPENPMEQ-UHFFFAOYSA-N
Compound name
6-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2,3-dimethylphenyl)methyl]-2,3-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

368.27155 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 191.4
[M+Na]+ 391.26077 200.4
[M-H]- 367.26427 196.8
[M+NH4]+ 386.30537 204.7
[M+K]+ 407.23471 195.6
[M+H-H2O]+ 351.26881 185.5
[M+HCOO]- 413.26975 206.2
[M+CH3COO]- 427.28540 223.6
[M+Na-2H]- 389.24622 189.5
[M]+ 368.27100 195.7
[M]- 368.27210 195.7
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