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]+ 316.121316 169.6
[M+Na]+ 338.103258 175.4
[M-H]- 314.106764 172.3
[M+NH4]+ 333.147863 182.2
[M+K]+ 354.077198 172.9
[M+H-H2O]+ 298.111300 163.1
[M+HCOO]- 360.112241 179.4
[M+CH3COO]- 374.127891 195.9
[M+Na-2H]- 336.088706 173.5
[M]+ 315.11349142 170.6
[M]- 315.11458858 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.