CID 77897

4221-80-1

Structural Information

Molecular Formula
C29H42O3
SMILES
CC(C)(C)C1=CC(=C(C=C1)OC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C29H42O3/c1-26(2,3)19-13-14-23(20(17-19)27(4,5)6)32-25(31)18-15-21(28(7,8)9)24(30)22(16-18)29(10,11)12/h13-17,30H,1-12H3
InChIKey
KJYSXRBJOSZLEL-UHFFFAOYSA-N
Compound name
(2,4-ditert-butylphenyl) 3,5-ditert-butyl-4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

15032
Patents

438.3134 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.32068 213.6
[M+Na]+ 461.30262 224.5
[M+NH4]+ 456.34722 218.3
[M+K]+ 477.27656 220.1
[M-H]- 437.30612 214.5
[M+Na-2H]- 459.28807 218.0
[M]+ 438.31285 215.8
[M]- 438.31395 215.8
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