CID 62489

3188-83-8

Structural Information

Molecular Formula
C22H26O5
SMILES
CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC(=C(C=C3)OCC4CO4)CO
InChI
InChI=1S/C22H26O5/c1-22(2,16-3-6-18(7-4-16)24-11-19-12-25-19)17-5-8-21(15(9-17)10-23)27-14-20-13-26-20/h3-9,19-20,23H,10-14H2,1-2H3
InChIKey
KKMOOTHADALRAT-UHFFFAOYSA-N
Compound name
[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.178 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 168.1
[M+Na]+ 393.16722 182.5
[M+NH4]+ 388.21182 175.4
[M+K]+ 409.14116 180.5
[M-H]- 369.17072 186.7
[M+Na-2H]- 391.15267 180.0
[M]+ 370.17745 177.6
[M]- 370.17855 177.6
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

No patent data available for this compound.