CID 3078707

Brn 3633311

Structural Information

Molecular Formula
C26H30O4
SMILES
CCCOC1=CC=CC=C1C(C2=CC=CC=C2OCCC)(C(C3=CC=CC=C3)O)O
InChI
InChI=1S/C26H30O4/c1-3-18-29-23-16-10-8-14-21(23)26(28,25(27)20-12-6-5-7-13-20)22-15-9-11-17-24(22)30-19-4-2/h5-17,25,27-28H,3-4,18-19H2,1-2H3
InChIKey
YWMTXYXFEJUDOQ-UHFFFAOYSA-N
Compound name
2-phenyl-1,1-bis(2-propoxyphenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.21442 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.22170 203.0
[M+Na]+ 429.20364 216.5
[M+NH4]+ 424.24824 209.5
[M+K]+ 445.17758 208.5
[M-H]- 405.20714 207.9
[M+Na-2H]- 427.18909 211.9
[M]+ 406.21387 206.5
[M]- 406.21497 206.5
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.