CID 2740568

883031-24-1

Structural Information

Molecular Formula
C18H19F3N4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H19F3N4O3S/c1-13(26)23-15-2-4-16(5-3-15)29(27,28)25-10-8-24(9-11-25)17-12-14(6-7-22-17)18(19,20)21/h2-7,12H,8-11H2,1H3,(H,23,26)
InChIKey
OECKKKKSZMMKNP-UHFFFAOYSA-N
Compound name
N-[4-[4-[4-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

428.113 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.12028 192.1
[M+Na]+ 451.10222 199.4
[M+NH4]+ 446.14682 194.3
[M+K]+ 467.07616 194.3
[M-H]- 427.10572 189.8
[M+Na-2H]- 449.08767 196.5
[M]+ 428.11245 192.4
[M]- 428.11355 192.4
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

No patent data available for this compound.