CID 214458

33211-58-4

Structural Information

Molecular Formula
C16H16N2O4S
SMILES
CC(=O)N(C)S(=O)(=O)C1=CC(=C(C=C1)N)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H16N2O4S/c1-11(19)18(2)23(21,22)13-8-9-15(17)14(10-13)16(20)12-6-4-3-5-7-12/h3-10H,17H2,1-2H3
InChIKey
UPVJRBNWUVOKCR-UHFFFAOYSA-N
Compound name
N-(4-amino-3-benzoylphenyl)sulfonyl-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.08307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09035 173.6
[M+Na]+ 355.07229 183.6
[M+NH4]+ 350.11689 179.2
[M+K]+ 371.04623 178.1
[M-H]- 331.07579 176.3
[M+Na-2H]- 353.05774 180.1
[M]+ 332.08252 176.0
[M]- 332.08362 176.0
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.