CID 3072234

Acetamide, 2-(acetyloxy)-n-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-

Structural Information

Molecular Formula
C11H12F3N3O5S
SMILES
CC(=O)OCC(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C
InChI
InChI=1S/C11H12F3N3O5S/c1-6(18)22-5-9(19)16-8-3-7(11(12,13)14)4-15-10(8)17-23(2,20)21/h3-4H,5H2,1-2H3,(H,15,17)(H,16,19)
InChIKey
XHDMZSBHOUTYLY-UHFFFAOYSA-N
Compound name
[2-[[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]amino]-2-oxoethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

355.04498 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.05226 171.1
[M+Na]+ 378.03420 178.1
[M-H]- 354.03770 169.6
[M+NH4]+ 373.07880 182.2
[M+K]+ 394.00814 175.4
[M+H-H2O]+ 338.04224 161.3
[M+HCOO]- 400.04318 183.8
[M+CH3COO]- 414.05883 211.9
[M+Na-2H]- 376.01965 173.7
[M]+ 355.04443 171.7
[M]- 355.04553 171.7
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

patents stripe