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]+ 364.05733 176.3
[M+Na]+ 386.03927 185.2
[M-H]- 362.04277 179.5
[M+NH4]+ 381.08387 187.9
[M+K]+ 402.01321 182.2
[M+H-H2O]+ 346.04731 166.8
[M+HCOO]- 408.04825 190.5
[M+CH3COO]- 422.06390 213.5
[M+Na-2H]- 384.02472 179.1
[M]+ 363.04950 177.1
[M]- 363.05060 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.