CID 11971527

2-(p-(ethylsulfonyl)phenyl)-2-hydroxy-4-morpholineethanol hydrochloride

Structural Information

Molecular Formula
C14H21NO5S
SMILES
CCS(=O)(=O)C1=CC=C(C=C1)C2(CN(CCO2)CCO)O
InChI
InChI=1S/C14H21NO5S/c1-2-21(18,19)13-5-3-12(4-6-13)14(17)11-15(7-9-16)8-10-20-14/h3-6,16-17H,2,7-11H2,1H3
InChIKey
VSKWNBSJNKBALR-UHFFFAOYSA-N
Compound name
2-(4-ethylsulfonylphenyl)-4-(2-hydroxyethyl)morpholin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11404 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12132 169.6
[M+Na]+ 338.10326 175.4
[M-H]- 314.10676 172.3
[M+NH4]+ 333.14786 182.2
[M+K]+ 354.07720 172.9
[M+H-H2O]+ 298.11130 163.1
[M+HCOO]- 360.11224 179.4
[M+CH3COO]- 374.12789 195.9
[M+Na-2H]- 336.08871 173.5
[M]+ 315.11349 170.6
[M]- 315.11459 170.6
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.