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
2
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 185.4
[M+Na]+ 369.18249 191.4
[M-H]- 345.18599 192.5
[M+NH4]+ 364.22709 197.1
[M+K]+ 385.15643 185.6
[M+H-H2O]+ 329.19053 177.3
[M+HCOO]- 391.19147 201.7
[M+CH3COO]- 405.20712 211.4
[M+Na-2H]- 367.16794 189.3
[M]+ 346.19272 184.6
[M]- 346.19382 184.6
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