CID 44154203

93893-70-0

Structural Information

Molecular Formula
C26H38O2
SMILES
CC1=CC(=C(C(=C1)C(C2=CC(=CC(=C2O)CC(C)C)C)C(C)C)O)CC(C)C
InChI
InChI=1S/C26H38O2/c1-15(2)9-20-11-18(7)13-22(25(20)27)24(17(5)6)23-14-19(8)12-21(26(23)28)10-16(3)4/h11-17,24,27-28H,9-10H2,1-8H3
InChIKey
IZVALQGISZYFAI-UHFFFAOYSA-N
Compound name
2-[1-[2-hydroxy-5-methyl-3-(2-methylpropyl)phenyl]-2-methylpropyl]-4-methyl-6-(2-methylpropyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.28717 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.29445 197.4
[M+Na]+ 405.27639 202.2
[M-H]- 381.27989 201.3
[M+NH4]+ 400.32099 208.7
[M+K]+ 421.25033 197.7
[M+H-H2O]+ 365.28443 190.1
[M+HCOO]- 427.28537 211.0
[M+CH3COO]- 441.30102 227.7
[M+Na-2H]- 403.26184 189.3
[M]+ 382.28662 199.9
[M]- 382.28772 199.9
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

No patent data available for this compound.