CID 119234

14078-41-2

Structural Information

Molecular Formula
C22H30O4
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C2=C(C(=CC(=C2)OC)C(C)(C)C)O)OC
InChI
InChI=1S/C22H30O4/c1-21(2,3)17-11-13(25-7)9-15(19(17)23)16-10-14(26-8)12-18(20(16)24)22(4,5)6/h9-12,23-24H,1-8H3
InChIKey
CBYWHFTZNVZQHV-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

453
Patents

358.21442 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.22170 187.3
[M+Na]+ 381.20364 195.5
[M-H]- 357.20714 192.4
[M+NH4]+ 376.24824 200.1
[M+K]+ 397.17758 192.4
[M+H-H2O]+ 341.21168 180.8
[M+HCOO]- 403.21262 203.4
[M+CH3COO]- 417.22827 216.3
[M+Na-2H]- 379.18909 188.3
[M]+ 358.21387 192.6
[M]- 358.21497 192.6
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