CID 3072228

141283-85-4

Structural Information

Molecular Formula
C13H16F3N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2CCCC2
InChI
InChI=1S/C13H16F3N3O3S/c1-23(21,22)19-11-10(6-9(7-17-11)13(14,15)16)18-12(20)8-4-2-3-5-8/h6-8H,2-5H2,1H3,(H,17,19)(H,18,20)
InChIKey
IWXQIOFKHRRNRK-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]cyclopentanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

351.08646 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09374 173.9
[M+Na]+ 374.07568 180.0
[M-H]- 350.07918 175.2
[M+NH4]+ 369.12028 186.9
[M+K]+ 390.04962 176.0
[M+H-H2O]+ 334.08372 164.3
[M+HCOO]- 396.08466 185.9
[M+CH3COO]- 410.10031 210.5
[M+Na-2H]- 372.06113 174.8
[M]+ 351.08591 169.8
[M]- 351.08701 169.8
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

patents stripe