CID 10970275

85954-11-6

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

1557
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 160.6
[M+Na]+ 377.17232 176.8
[M+NH4]+ 372.21692 168.9
[M+K]+ 393.14626 174.0
[M-H]- 353.17582 180.6
[M+Na-2H]- 375.15777 173.1
[M]+ 354.18255 170.9
[M]- 354.18365 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe