CID 19352860

35924-04-0

Structural Information

Molecular Formula
C25H28O3
SMILES
CC1=CC(=C(C(=C1)CC2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)C)C)C)O)C
InChI
InChI=1S/C25H28O3/c1-14-6-17(4)23(26)19(8-14)12-21-10-16(3)11-22(25(21)28)13-20-9-15(2)7-18(5)24(20)27/h6-11,26-28H,12-13H2,1-5H3
InChIKey
VZKXQQSFNFJFSC-UHFFFAOYSA-N
Compound name
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

455
Patents

376.20386 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.211136 193.7
[M+Na]+ 399.193078 203.2
[M-H]- 375.196584 201.0
[M+NH4]+ 394.237683 205.0
[M+K]+ 415.167018 196.5
[M+H-H2O]+ 359.201120 185.3
[M+HCOO]- 421.202061 211.4
[M+CH3COO]- 435.217711 221.0
[M+Na-2H]- 397.178526 190.5
[M]+ 376.20331142 196.3
[M]- 376.20440858 196.3
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