CID 3040383

52157-92-3

Structural Information

Molecular Formula
C16H16F3N3O3S
SMILES
CCCC(=O)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H16F3N3O3S/c1-2-4-15(23)22-26(24,25)14-10-20-8-7-13(14)21-12-6-3-5-11(9-12)16(17,18)19/h3,5-10H,2,4H2,1H3,(H,20,21)(H,22,23)
InChIKey
QYFDVJMMQYLATR-UHFFFAOYSA-N
Compound name
N-[4-[3-(trifluoromethyl)anilino]pyridin-3-yl]sulfonylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.08646 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09374 184.1
[M+Na]+ 410.07568 190.9
[M-H]- 386.07918 185.4
[M+NH4]+ 405.12028 193.7
[M+K]+ 426.04962 185.3
[M+H-H2O]+ 370.08372 172.8
[M+HCOO]- 432.08466 197.0
[M+CH3COO]- 446.10031 218.9
[M+Na-2H]- 408.06113 187.4
[M]+ 387.08591 182.7
[M]- 387.08701 182.7
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

No patent data available for this compound.