CID 3072213

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

Structural Information

Molecular Formula
C10H10F3N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C=C
InChI
InChI=1S/C10H10F3N3O3S/c1-3-8(17)15-7-4-6(10(11,12)13)5-14-9(7)16-20(2,18)19/h3-5H,1H2,2H3,(H,14,16)(H,15,17)
InChIKey
JIHXFUCHZUJGCA-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

309.0395 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.04678 161.7
[M+Na]+ 332.02872 169.9
[M-H]- 308.03222 160.4
[M+NH4]+ 327.07332 174.9
[M+K]+ 348.00266 165.5
[M+H-H2O]+ 292.03676 152.3
[M+HCOO]- 354.03770 175.2
[M+CH3COO]- 368.05335 204.3
[M+Na-2H]- 330.01417 164.9
[M]+ 309.03895 159.7
[M]- 309.04005 159.7
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