CID 11971531

104100-25-6

Structural Information

Molecular Formula
C16H25NO5S
SMILES
CC(C)CS(=O)(=O)C1=CC=C(C=C1)C2(CN(CCO2)CCO)O
InChI
InChI=1S/C16H25NO5S/c1-13(2)11-23(20,21)15-5-3-14(4-6-15)16(19)12-17(7-9-18)8-10-22-16/h3-6,13,18-19H,7-12H2,1-2H3
InChIKey
HCZXSAOYCZDMBU-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-2-[4-(2-methylpropylsulfonyl)phenyl]morpholin-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14536 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.15264 177.6
[M+Na]+ 366.13458 186.5
[M+NH4]+ 361.17918 184.0
[M+K]+ 382.10852 179.6
[M-H]- 342.13808 178.8
[M+Na-2H]- 364.12003 182.0
[M]+ 343.14481 179.6
[M]- 343.14591 179.6
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.