CID 74833

2015-14-7

Structural Information

Molecular Formula
C9H12N2O3S
SMILES
CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C9H12N2O3S/c1-7(12)11-6-8-2-4-9(5-3-8)15(10,13)14/h2-5H,6H2,1H3,(H,11,12)(H2,10,13,14)
InChIKey
AHQONKCJXWTTOW-UHFFFAOYSA-N
Compound name
N-[(4-sulfamoylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

51
Patents

228.05687 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06415 147.4
[M+Na]+ 251.04609 154.6
[M-H]- 227.04959 150.7
[M+NH4]+ 246.09069 164.9
[M+K]+ 267.02003 151.5
[M+H-H2O]+ 211.05413 141.0
[M+HCOO]- 273.05507 166.4
[M+CH3COO]- 287.07072 189.7
[M+Na-2H]- 249.03154 151.1
[M]+ 228.05632 148.0
[M]- 228.05742 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe