CID 214458

Acetamide, n-(3-benzoylsulfanilyl)-n-methyl-

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]+ 333.090346 174.5
[M+Na]+ 355.072288 180.7
[M-H]- 331.075794 182.2
[M+NH4]+ 350.116893 187.9
[M+K]+ 371.046228 177.9
[M+H-H2O]+ 315.080330 166.4
[M+HCOO]- 377.081271 192.6
[M+CH3COO]- 391.096921 213.5
[M+Na-2H]- 353.057736 175.7
[M]+ 332.08252142 177.0
[M]- 332.08361858 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.