CID 3016201

40590-42-9

Structural Information

Molecular Formula
C23H24O
SMILES
CC1=CC(=CC(=C1O)C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3
InChI
InChI=1S/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)15-22(23(16)24)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3
InChIKey
HTOURGWUDSSDPU-UHFFFAOYSA-N
Compound name
2-methyl-4,6-bis(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

316.1827 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18998 177.9
[M+Na]+ 339.17192 183.6
[M-H]- 315.17542 186.1
[M+NH4]+ 334.21652 191.3
[M+K]+ 355.14586 177.8
[M+H-H2O]+ 299.17996 169.1
[M+HCOO]- 361.18090 197.2
[M+CH3COO]- 375.19655 209.5
[M+Na-2H]- 337.15737 178.6
[M]+ 316.18215 176.9
[M]- 316.18325 176.9
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