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

1091
Patents

376.20386 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21114 192.7
[M+Na]+ 399.19308 201.9
[M-H]- 375.19658 200.1
[M+NH4]+ 394.23768 204.0
[M+K]+ 415.16702 196.0
[M+H-H2O]+ 359.20112 184.6
[M+HCOO]- 421.20206 209.4
[M+CH3COO]- 435.21771 222.0
[M+Na-2H]- 397.17853 188.4
[M]+ 376.20331 194.8
[M]- 376.20441 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