CID 62489

Dtxsid00883916

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
3
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 183.6
[M+Na]+ 393.16722 189.7
[M-H]- 369.17072 195.2
[M+NH4]+ 388.21182 183.0
[M+K]+ 409.14116 190.0
[M+H-H2O]+ 353.17526 176.0
[M+HCOO]- 415.17620 199.4
[M+CH3COO]- 429.19185 222.0
[M+Na-2H]- 391.15267 186.6
[M]+ 370.17745 192.9
[M]- 370.17855 192.9
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.