CID 3072210

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

Structural Information

Molecular Formula
C12H16F3N3O3S
SMILES
CCCCC(=O)NC1=C(N=CC(=C1)C(F)(F)F)NS(=O)(=O)C
InChI
InChI=1S/C12H16F3N3O3S/c1-3-4-5-10(19)17-9-6-8(12(13,14)15)7-16-11(9)18-22(2,20)21/h6-7H,3-5H2,1-2H3,(H,16,18)(H,17,19)
InChIKey
PLSQAQSDOUCOSM-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.08646 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.09374 171.4
[M+Na]+ 362.07568 178.4
[M-H]- 338.07918 169.7
[M+NH4]+ 357.12028 183.5
[M+K]+ 378.04962 174.2
[M+H-H2O]+ 322.08372 161.5
[M+HCOO]- 384.08466 184.1
[M+CH3COO]- 398.10031 211.1
[M+Na-2H]- 360.06113 173.7
[M]+ 339.08591 170.8
[M]- 339.08701 170.8
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.