CID 150694

76002-91-0

Structural Information

Molecular Formula
C21H26O5
SMILES
CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC(CO)O
InChI
InChI=1S/C21H26O5/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,22-23H,11-14H2,1-2H3
InChIKey
NBLIPZBCGXIEFO-UHFFFAOYSA-N
Compound name
3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

358.178 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.18528 188.2
[M+Na]+ 381.16722 201.4
[M+NH4]+ 376.21182 194.9
[M+K]+ 397.14116 197.3
[M-H]- 357.17072 199.4
[M+Na-2H]- 379.15267 196.7
[M]+ 358.17745 194.5
[M]- 358.17855 194.5
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