CID 165342755

55901-03-6

Structural Information

Molecular Formula
C25H28O2
SMILES
CC1=CC(=C(C(=C1)OCCO)CCC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C25H28O2/c1-20-18-23(14-12-21-8-4-2-5-9-21)24(25(19-20)27-17-16-26)15-13-22-10-6-3-7-11-22/h2-11,18-19,26H,12-17H2,1H3
InChIKey
HINNWHLAEZJNHE-UHFFFAOYSA-N
Compound name
2-[5-methyl-2,3-bis(2-phenylethyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.20892 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.21620 192.7
[M+Na]+ 383.19814 209.1
[M+NH4]+ 378.24274 201.3
[M+K]+ 399.17208 198.0
[M-H]- 359.20164 200.1
[M+Na-2H]- 381.18359 203.4
[M]+ 360.20837 197.5
[M]- 360.20947 197.5
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

No patent data available for this compound.