CID 10970275

4,4'-bis(2,3-epoxypropoxy)-3,3',5,5'-tetramethylbiphenyl

Structural Information

Molecular Formula
C22H26O4
SMILES
CC1=CC(=CC(=C1OCC2CO2)C)C3=CC(=C(C(=C3)C)OCC4CO4)C
InChI
InChI=1S/C22H26O4/c1-13-5-17(6-14(2)21(13)25-11-19-9-23-19)18-7-15(3)22(16(4)8-18)26-12-20-10-24-20/h5-8,19-20H,9-12H2,1-4H3
InChIKey
HRSLYNJTMYIRHM-UHFFFAOYSA-N
Compound name
2-[[4-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]-2,6-dimethylphenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1428
Patents

354.1831 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 184.0
[M+Na]+ 377.17232 192.6
[M-H]- 353.17582 197.5
[M+NH4]+ 372.21692 185.3
[M+K]+ 393.14626 192.3
[M+H-H2O]+ 337.18036 175.9
[M+HCOO]- 399.18130 202.0
[M+CH3COO]- 413.19695 224.8
[M+Na-2H]- 375.15777 184.4
[M]+ 354.18255 194.9
[M]- 354.18365 194.9
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.