CID 110491

Acetamide, n-[5-[(butylamino)sulfonyl]-2-methoxyphenyl]-

Structural Information

Molecular Formula
C13H20N2O4S
SMILES
CCCCNS(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C
InChI
InChI=1S/C13H20N2O4S/c1-4-5-8-14-20(17,18)11-6-7-13(19-3)12(9-11)15-10(2)16/h6-7,9,14H,4-5,8H2,1-3H3,(H,15,16)
InChIKey
BVTDOTROSKUSHO-UHFFFAOYSA-N
Compound name
N-[5-(butylsulfamoyl)-2-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.11438 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12166 167.3
[M+Na]+ 323.10360 173.2
[M-H]- 299.10710 170.7
[M+NH4]+ 318.14820 182.3
[M+K]+ 339.07754 170.3
[M+H-H2O]+ 283.11164 160.0
[M+HCOO]- 345.11258 185.8
[M+CH3COO]- 359.12823 205.8
[M+Na-2H]- 321.08905 169.7
[M]+ 300.11383 172.2
[M]- 300.11493 172.2
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