CID 9561099

5462-43-1

Structural Information

Molecular Formula
C16H17N3O3S
SMILES
CC1=CC=C(C=C1)/C=N/NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C16H17N3O3S/c1-12-3-5-14(6-4-12)11-17-19-23(21,22)16-9-7-15(8-10-16)18-13(2)20/h3-11,19H,1-2H3,(H,18,20)/b17-11+
InChIKey
UHMNRYFLNGLFBV-GZTJUZNOSA-N
Compound name
N-[4-[[(E)-(4-methylphenyl)methylideneamino]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.09906 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10634 175.2
[M+Na]+ 354.08828 181.5
[M-H]- 330.09178 183.2
[M+NH4]+ 349.13288 189.0
[M+K]+ 370.06222 177.1
[M+H-H2O]+ 314.09632 166.5
[M+HCOO]- 376.09726 196.8
[M+CH3COO]- 390.11291 214.6
[M+Na-2H]- 352.07373 179.9
[M]+ 331.09851 177.6
[M]- 331.09961 177.6
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

No patent data available for this compound.