CID 3078706

122135-78-8

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 192.6
[M+Na]+ 401.17232 196.5
[M-H]- 377.17582 199.0
[M+NH4]+ 396.21692 202.2
[M+K]+ 417.14626 191.9
[M+H-H2O]+ 361.18036 183.2
[M+HCOO]- 423.18130 209.8
[M+CH3COO]- 437.19695 214.7
[M+Na-2H]- 399.15777 195.2
[M]+ 378.18255 193.9
[M]- 378.18365 193.9
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

No patent data available for this compound.