CID 121628

30091-01-1

Structural Information

Molecular Formula
C21H20O
SMILES
CC1=CC(=C(C=C1CC2=CC=CC=C2)CC3=CC=CC=C3)O
InChI
InChI=1S/C21H20O/c1-16-12-21(22)20(14-18-10-6-3-7-11-18)15-19(16)13-17-8-4-2-5-9-17/h2-12,15,22H,13-14H2,1H3
InChIKey
DSGBRCTVPMDCGH-UHFFFAOYSA-N
Compound name
2,4-dibenzyl-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.15143 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.158706 169.2
[M+Na]+ 311.140648 176.5
[M-H]- 287.144154 177.6
[M+NH4]+ 306.185253 183.9
[M+K]+ 327.114588 170.0
[M+H-H2O]+ 271.148690 160.5
[M+HCOO]- 333.149631 191.2
[M+CH3COO]- 347.165281 180.6
[M+Na-2H]- 309.126096 173.3
[M]+ 288.15088142 168.7
[M]- 288.15197858 168.7
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.