CID 15751

4-methyl-2,6-bis(1-phenylethyl)phenol

Structural Information

Molecular Formula
C23H24O
SMILES
CC1=CC(=C(C(=C1)C(C)C2=CC=CC=C2)O)C(C)C3=CC=CC=C3
InChI
InChI=1S/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3
InChIKey
QFCGHEBLSUPGPF-UHFFFAOYSA-N
Compound name
4-methyl-2,6-bis(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

794
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

literature stripe

Patent stripe

patents stripe