CID 14123355

13446-84-9

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
1
Annotation Hits

0
References

84
Patents

380.19876 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 171.5
[M+Na]+ 403.18798 186.8
[M+NH4]+ 398.23258 181.3
[M+K]+ 419.16192 181.4
[M-H]- 379.19148 193.0
[M+Na-2H]- 401.17343 186.1
[M]+ 380.19821 182.2
[M]- 380.19931 182.2
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