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 191.1
[M+Na]+ 383.19814 196.3
[M-H]- 359.20164 198.6
[M+NH4]+ 378.24274 202.6
[M+K]+ 399.17208 189.6
[M+H-H2O]+ 343.20618 181.0
[M+HCOO]- 405.20712 211.7
[M+CH3COO]- 419.22277 215.7
[M+Na-2H]- 381.18359 192.8
[M]+ 360.20837 193.1
[M]- 360.20947 193.1
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.