CID 13652270

Alpha,alpha'-bis(4-hydroxy-3,5-dimethylphenyl)-1,4-diisopropylbenzene

Structural Information

Molecular Formula
C28H34O2
SMILES
CC1=CC(=CC(=C1O)C)C(C)(C)C2=CC=C(C=C2)C(C)(C)C3=CC(=C(C(=C3)C)O)C
InChI
InChI=1S/C28H34O2/c1-17-13-23(14-18(2)25(17)29)27(5,6)21-9-11-22(12-10-21)28(7,8)24-15-19(3)26(30)20(4)16-24/h9-16,29-30H,1-8H3
InChIKey
SIDYFHJPUCRHJY-UHFFFAOYSA-N
Compound name
4-[2-[4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

981
Patents

402.2559 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.26318 201.3
[M+Na]+ 425.24512 209.0
[M-H]- 401.24862 209.2
[M+NH4]+ 420.28972 211.9
[M+K]+ 441.21906 203.1
[M+H-H2O]+ 385.25316 193.2
[M+HCOO]- 447.25410 216.2
[M+CH3COO]- 461.26975 228.3
[M+Na-2H]- 423.23057 200.6
[M]+ 402.25535 203.6
[M]- 402.25645 203.6
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