CID 14123349

Oxirane, 2,2'-(methylenebis((2,6-dimethyl-4,1-phenylene)oxymethylene))bis-

Structural Information

Molecular Formula
C23H28O4
SMILES
CC1=CC(=CC(=C1OCC2CO2)C)CC3=CC(=C(C(=C3)C)OCC4CO4)C
InChI
InChI=1S/C23H28O4/c1-14-5-18(6-15(2)22(14)26-12-20-10-24-20)9-19-7-16(3)23(17(4)8-19)27-13-21-11-25-21/h5-8,20-21H,9-13H2,1-4H3
InChIKey
DYCOQZIBHVOFLQ-UHFFFAOYSA-N
Compound name
2-[[4-[[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]methyl]-2,6-dimethylphenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

78
Patents

368.19876 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.206036 187.5
[M+Na]+ 391.187978 195.8
[M-H]- 367.191484 200.9
[M+NH4]+ 386.232583 188.3
[M+K]+ 407.161918 195.3
[M+H-H2O]+ 351.196020 179.3
[M+HCOO]- 413.196961 205.2
[M+CH3COO]- 427.212611 227.2
[M+Na-2H]- 389.173426 187.5
[M]+ 368.19821142 198.7
[M]- 368.19930858 198.7
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

patents stripe