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]+ 379.190376 192.6
[M+Na]+ 401.172318 196.5
[M-H]- 377.175824 199.0
[M+NH4]+ 396.216923 202.2
[M+K]+ 417.146258 191.9
[M+H-H2O]+ 361.180360 183.2
[M+HCOO]- 423.181301 209.8
[M+CH3COO]- 437.196951 214.7
[M+Na-2H]- 399.157766 195.2
[M]+ 378.18255142 193.9
[M]- 378.18364858 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.