CID 3078706

Brn 3627404

Structural Information

Molecular Formula
C24H26O4
SMILES
CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OCC)(C(C3=CC=CC=C3)O)O
InChI
InChI=1S/C24H26O4/c1-3-27-21-14-10-19(11-15-21)24(26,23(25)18-8-6-5-7-9-18)20-12-16-22(17-13-20)28-4-2/h5-17,23,25-26H,3-4H2,1-2H3
InChIKey
YHKCLASAUBDJQT-UHFFFAOYSA-N
Compound name
1,1-bis(4-ethoxyphenyl)-2-phenylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.1831 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.19038 194.0
[M+Na]+ 401.17232 207.9
[M+NH4]+ 396.21692 200.8
[M+K]+ 417.14626 200.4
[M-H]- 377.17582 199.0
[M+Na-2H]- 399.15777 203.4
[M]+ 378.18255 197.6
[M]- 378.18365 197.6
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.