CID 2773944

387350-79-0

Structural Information

Molecular Formula
C15H19F3N2O2S
SMILES
C1CC1N(C2CCNCC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C15H19F3N2O2S/c16-15(17,18)11-2-1-3-14(10-11)23(21,22)20(12-4-5-12)13-6-8-19-9-7-13/h1-3,10,12-13,19H,4-9H2
InChIKey
NQBHDSLGAKITFX-UHFFFAOYSA-N
Compound name
N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

348.11194 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11922 180.3
[M+Na]+ 371.10116 186.7
[M+NH4]+ 366.14576 185.0
[M+K]+ 387.07510 182.8
[M-H]- 347.10466 184.7
[M+Na-2H]- 369.08661 185.8
[M]+ 348.11139 183.4
[M]- 348.11249 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe