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 201.6
[M+Na]+ 429.20364 204.5
[M-H]- 405.20714 207.5
[M+NH4]+ 424.24824 209.9
[M+K]+ 445.17758 199.5
[M+H-H2O]+ 389.21168 191.7
[M+HCOO]- 451.21262 218.1
[M+CH3COO]- 465.22827 220.5
[M+Na-2H]- 427.18909 203.0
[M]+ 406.21387 203.5
[M]- 406.21497 203.5
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.