CID 3019353

83804-00-6

Structural Information

Molecular Formula
C24H26O
SMILES
CC1=CC=CC=C1C(C)C2=C(C(=CC=C2)O)C(C)C3=CC=CC=C3C
InChI
InChI=1S/C24H26O/c1-16-10-5-7-12-20(16)18(3)22-14-9-15-23(25)24(22)19(4)21-13-8-6-11-17(21)2/h5-15,18-19,25H,1-4H3
InChIKey
LLJZRISLGKHATN-UHFFFAOYSA-N
Compound name
2,3-bis[1-(2-methylphenyl)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.19836 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.20564 182.0
[M+Na]+ 353.18758 188.1
[M-H]- 329.19108 190.4
[M+NH4]+ 348.23218 195.1
[M+K]+ 369.16152 182.3
[M+H-H2O]+ 313.19562 173.2
[M+HCOO]- 375.19656 200.9
[M+CH3COO]- 389.21221 213.7
[M+Na-2H]- 351.17303 181.4
[M]+ 330.19781 181.7
[M]- 330.19891 181.7
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

patents stripe