CID 86207

Alpha,alpha'-bis(methylphenyl)-1,3-benzenediethanol

Structural Information

Molecular Formula
C24H26O2
SMILES
CC1=CC=CC=C1C(C)(C2=CC(=CC=C2)C(C)(C3=CC=CC=C3C)O)O
InChI
InChI=1S/C24H26O2/c1-17-10-5-7-14-21(17)23(3,25)19-12-9-13-20(16-19)24(4,26)22-15-8-6-11-18(22)2/h5-16,25-26H,1-4H3
InChIKey
ROTPBBFLUPUWCC-UHFFFAOYSA-N
Compound name
1-[3-[1-hydroxy-1-(2-methylphenyl)ethyl]phenyl]-1-(2-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

346.19327 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.20055 188.1
[M+Na]+ 369.18249 203.3
[M+NH4]+ 364.22709 196.0
[M+K]+ 385.15643 195.4
[M-H]- 345.18599 193.8
[M+Na-2H]- 367.16794 198.5
[M]+ 346.19272 192.3
[M]- 346.19382 192.3
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