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 176.8
[M+Na]+ 368.11382 182.8
[M-H]- 344.11732 182.4
[M+NH4]+ 363.15842 187.8
[M+K]+ 384.08776 182.1
[M+H-H2O]+ 328.12186 168.7
[M+HCOO]- 390.12280 189.5
[M+CH3COO]- 404.13845 207.5
[M+Na-2H]- 366.09927 179.1
[M]+ 345.12405 183.1
[M]- 345.12515 183.1
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.