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 174.5
[M+Na]+ 355.07229 180.7
[M-H]- 331.07579 182.2
[M+NH4]+ 350.11689 187.9
[M+K]+ 371.04623 177.9
[M+H-H2O]+ 315.08033 166.4
[M+HCOO]- 377.08127 192.6
[M+CH3COO]- 391.09692 213.5
[M+Na-2H]- 353.05774 175.7
[M]+ 332.08252 177.0
[M]- 332.08362 177.0
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.