CID 2357187

2-cyano-n-(4-sulfamoylphenyl)acetamide

Structural Information

Molecular Formula
C9H9N3O3S
SMILES
C1=CC(=CC=C1NC(=O)CC#N)S(=O)(=O)N
InChI
InChI=1S/C9H9N3O3S/c10-6-5-9(13)12-7-1-3-8(4-2-7)16(11,14)15/h1-4H,5H2,(H,12,13)(H2,11,14,15)
InChIKey
IQSWUJWQROLSRO-UHFFFAOYSA-N
Compound name
2-cyano-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

239.03647 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04375 161.1
[M+Na]+ 262.02569 169.9
[M-H]- 238.02919 164.3
[M+NH4]+ 257.07029 176.2
[M+K]+ 277.99963 167.3
[M+H-H2O]+ 222.03373 148.1
[M+HCOO]- 284.03467 176.4
[M+CH3COO]- 298.05032 202.3
[M+Na-2H]- 260.01114 163.6
[M]+ 239.03592 156.3
[M]- 239.03702 156.3
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