CID 1107616

N-[4-(3,4-dimethyl-isoxazol-5-ylsulfamoyl)-phenyl]-2,2,2-trifluoro-acetamide

Structural Information

Molecular Formula
C13H12F3N3O4S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(F)(F)F
InChI
InChI=1S/C13H12F3N3O4S/c1-7-8(2)18-23-11(7)19-24(21,22)10-5-3-9(4-6-10)17-12(20)13(14,15)16/h3-6,19H,1-2H3,(H,17,20)
InChIKey
KJEYNWQWLMDFIW-UHFFFAOYSA-N
Compound name
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

363.05005 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.057326 176.3
[M+Na]+ 386.039268 185.2
[M-H]- 362.042774 179.5
[M+NH4]+ 381.083873 187.9
[M+K]+ 402.013208 182.2
[M+H-H2O]+ 346.047310 166.8
[M+HCOO]- 408.048251 190.5
[M+CH3COO]- 422.063901 213.5
[M+Na-2H]- 384.024716 179.1
[M]+ 363.04950142 177.1
[M]- 363.05059858 177.1
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

No patent data available for this compound.