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
3
Annotation Hits

0
References

79
Patents

368.19876 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20604 187.5
[M+Na]+ 391.18798 195.8
[M-H]- 367.19148 200.9
[M+NH4]+ 386.23258 188.3
[M+K]+ 407.16192 195.3
[M+H-H2O]+ 351.19602 179.3
[M+HCOO]- 413.19696 205.2
[M+CH3COO]- 427.21261 227.2
[M+Na-2H]- 389.17343 187.5
[M]+ 368.19821 198.7
[M]- 368.19931 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