CID 20459379

N-(3-sulfamoylpropyl)acetamide

Structural Information

Molecular Formula
C5H12N2O3S
SMILES
CC(=O)NCCCS(=O)(=O)N
InChI
InChI=1S/C5H12N2O3S/c1-5(8)7-3-2-4-11(6,9)10/h2-4H2,1H3,(H,7,8)(H2,6,9,10)
InChIKey
RUEWBKNYCFWUTH-UHFFFAOYSA-N
Compound name
N-(3-sulfamoylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

180.05687 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.064146 136.3
[M+Na]+ 203.046088 142.8
[M-H]- 179.049594 136.2
[M+NH4]+ 198.090693 155.7
[M+K]+ 219.020028 141.2
[M+H-H2O]+ 163.054130 130.8
[M+HCOO]- 225.055071 154.8
[M+CH3COO]- 239.070721 181.0
[M+Na-2H]- 201.031536 139.6
[M]+ 180.05632142 137.4
[M]- 180.05741858 137.4
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