CID 121628

4,6-dibenzyl-m-cresol

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]+ 289.15871 169.2
[M+Na]+ 311.14065 176.5
[M-H]- 287.14415 177.6
[M+NH4]+ 306.18525 183.9
[M+K]+ 327.11459 170.0
[M+H-H2O]+ 271.14869 160.5
[M+HCOO]- 333.14963 191.2
[M+CH3COO]- 347.16528 180.6
[M+Na-2H]- 309.12610 173.3
[M]+ 288.15088 168.7
[M]- 288.15198 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.