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 182.2
[M-H]- 342.13808 180.0
[M+NH4]+ 361.17918 189.1
[M+K]+ 382.10852 179.9
[M+H-H2O]+ 326.14262 171.0
[M+HCOO]- 388.14356 185.7
[M+CH3COO]- 402.15921 202.8
[M+Na-2H]- 364.12003 179.7
[M]+ 343.14481 178.7
[M]- 343.14591 178.7
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.