CID 3051918

4-morpholinesulfonamide, n-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C13H20N2O6S
SMILES
COC1=CC(=CC(=C1OC)OC)NS(=O)(=O)N2CCOCC2
InChI
InChI=1S/C13H20N2O6S/c1-18-11-8-10(9-12(19-2)13(11)20-3)14-22(16,17)15-4-6-21-7-5-15/h8-9,14H,4-7H2,1-3H3
InChIKey
QVSDHVZJCGHPSD-UHFFFAOYSA-N
Compound name
N-(3,4,5-trimethoxyphenyl)morpholine-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.10422 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11150 172.0
[M+Na]+ 355.09344 177.8
[M-H]- 331.09694 177.6
[M+NH4]+ 350.13804 183.0
[M+K]+ 371.06738 177.3
[M+H-H2O]+ 315.10148 163.7
[M+HCOO]- 377.10242 186.2
[M+CH3COO]- 391.11807 206.8
[M+Na-2H]- 353.07889 175.8
[M]+ 332.10367 176.7
[M]- 332.10477 176.7
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

patents stripe