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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	371.185276	183.6
[M+Na]+	393.167218	189.7
[M-H]-	369.170724	195.2
[M+NH4]+	388.211823	183.0
[M+K]+	409.141158	190.0
[M+H-H2O]+	353.175260	176.0
[M+HCOO]-	415.176201	199.4
[M+CH3COO]-	429.191851	222.0
[M+Na-2H]-	391.152666	186.6
[M]+	370.17745142	192.9
[M]-	370.17854858	192.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.