CID 4320947

2,2',2''-(methanetriyltris(benzene-4,1-diyloxymethanediyl))trioxirane

Structural Information

Molecular Formula
C28H28O6
SMILES
C1C(O1)COC2=CC=C(C=C2)C(C3=CC=C(C=C3)OCC4CO4)C5=CC=C(C=C5)OCC6CO6
InChI
InChI=1S/C28H28O6/c1-7-22(29-13-25-16-32-25)8-2-19(1)28(20-3-9-23(10-4-20)30-14-26-17-33-26)21-5-11-24(12-6-21)31-15-27-18-34-27/h1-12,25-28H,13-18H2
InChIKey
IGZBSJAMZHNHKE-UHFFFAOYSA-N
Compound name
2-[[4-[bis[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3260
Patents

460.1886 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.19588 148.8
[M+Na]+ 483.17782 162.2
[M+NH4]+ 478.22242 155.5
[M+K]+ 499.15176 162.3
[M-H]- 459.18132 170.1
[M+Na-2H]- 481.16327 163.0
[M]+ 460.18805 159.1
[M]- 460.18915 159.1
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