CID 3025497

Brn 5768392

Structural Information

Molecular Formula
C15H23NO6S
SMILES
COC1=C(C(=C(C=C1)S(=O)(=O)CCN2CCOCC2)OC)OC
InChI
InChI=1S/C15H23NO6S/c1-19-12-4-5-13(15(21-3)14(12)20-2)23(17,18)11-8-16-6-9-22-10-7-16/h4-5H,6-11H2,1-3H3
InChIKey
WQKGNFKWQYKGBF-UHFFFAOYSA-N
Compound name
4-[2-(2,3,4-trimethoxyphenyl)sulfonylethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1246 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13188 177.5
[M+Na]+ 368.11382 187.9
[M+NH4]+ 363.15842 182.8
[M+K]+ 384.08776 182.0
[M-H]- 344.11732 179.6
[M+Na-2H]- 366.09927 181.1
[M]+ 345.12405 179.9
[M]- 345.12515 179.9
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.