CID 14123355

Oxirane, 2,2'-[cyclohexylidenebis(4,1-phenyleneoxymethylene)]bis-

Structural Information

Molecular Formula
C24H28O4
SMILES
C1CCC(CC1)(C2=CC=C(C=C2)OCC3CO3)C4=CC=C(C=C4)OCC5CO5
InChI
InChI=1S/C24H28O4/c1-2-12-24(13-3-1,18-4-8-20(9-5-18)25-14-22-16-27-22)19-6-10-21(11-7-19)26-15-23-17-28-23/h4-11,22-23H,1-3,12-17H2
InChIKey
VDPPRCNXURRGQC-UHFFFAOYSA-N
Compound name
2-[[4-[1-[4-(oxiran-2-ylmethoxy)phenyl]cyclohexyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

380.19876 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.206036 186.8
[M+Na]+ 403.187978 190.8
[M-H]- 379.191484 200.7
[M+NH4]+ 398.232583 187.1
[M+K]+ 419.161918 193.7
[M+H-H2O]+ 363.196020 178.6
[M+HCOO]- 425.196961 201.6
[M+CH3COO]- 439.212611 194.2
[M+Na-2H]- 401.173426 189.0
[M]+ 380.19821142 191.2
[M]- 380.19930858 191.2
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