CID 3034480

Oxirane, 2,2',2''-[methylidynetris(phenyleneoxymethylene)]tris-

Structural Information

Molecular Formula
C28H28O6
SMILES
C1C(O1)COC2=CC=CC=C2C(C3=CC=CC=C3OCC4CO4)C5=CC=CC=C5OCC6CO6
InChI
InChI=1S/C28H28O6/c1-4-10-25(32-16-19-13-29-19)22(7-1)28(23-8-2-5-11-26(23)33-17-20-14-30-20)24-9-3-6-12-27(24)34-18-21-15-31-21/h1-12,19-21,28H,13-18H2
InChIKey
UJWXADOOYOEBCW-UHFFFAOYSA-N
Compound name
2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1868
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 197.7
[M+Na]+ 483.17782 199.1
[M-H]- 459.18132 210.8
[M+NH4]+ 478.22242 189.2
[M+K]+ 499.15176 204.1
[M+H-H2O]+ 443.18586 190.7
[M+HCOO]- 505.18680 209.7
[M+CH3COO]- 519.20245 201.4
[M+Na-2H]- 481.16327 196.3
[M]+ 460.18805 206.1
[M]- 460.18915 206.1
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