CID 21896274

4,4'-(2-hydroxybenzylidene)bis(2,3,6-trimethylphenol)

Structural Information

Molecular Formula
C25H28O3
SMILES
CC1=CC(=C(C(=C1O)C)C)C(C2=CC=CC=C2O)C3=C(C(=C(C(=C3)C)O)C)C
InChI
InChI=1S/C25H28O3/c1-13-11-20(15(3)17(5)24(13)27)23(19-9-7-8-10-22(19)26)21-12-14(2)25(28)18(6)16(21)4/h7-12,23,26-28H,1-6H3
InChIKey
CLAQXRONBVEWMK-UHFFFAOYSA-N
Compound name
4-[(2-hydroxyphenyl)-(4-hydroxy-2,3,5-trimethylphenyl)methyl]-2,3,6-trimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1135
Patents

376.20386 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.211136 192.7
[M+Na]+ 399.193078 201.9
[M-H]- 375.196584 200.1
[M+NH4]+ 394.237683 204.0
[M+K]+ 415.167018 196.0
[M+H-H2O]+ 359.201120 184.6
[M+HCOO]- 421.202061 209.4
[M+CH3COO]- 435.217711 222.0
[M+Na-2H]- 397.178526 188.4
[M]+ 376.20331142 194.8
[M]- 376.20440858 194.8
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

patents stripe