CID 74181

1620-68-4

Structural Information

Molecular Formula
C23H24O3
SMILES
CC1=CC(=C(C=C1)O)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)C)O)C
InChI
InChI=1S/C23H24O3/c1-14-4-6-21(24)17(8-14)12-19-10-16(3)11-20(23(19)26)13-18-9-15(2)5-7-22(18)25/h4-11,24-26H,12-13H2,1-3H3
InChIKey
MAQOZOILPAMFSW-UHFFFAOYSA-N
Compound name
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

7181
Patents

348.17255 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17983 185.2
[M+Na]+ 371.16177 193.9
[M-H]- 347.16527 192.2
[M+NH4]+ 366.20637 197.1
[M+K]+ 387.13571 187.3
[M+H-H2O]+ 331.16981 176.9
[M+HCOO]- 393.17075 203.7
[M+CH3COO]- 407.18640 212.4
[M+Na-2H]- 369.14722 184.5
[M]+ 348.17200 186.4
[M]- 348.17310 186.4
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