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 196.3
[M+Na]+ 451.10222 202.4
[M-H]- 427.10572 197.5
[M+NH4]+ 446.14682 201.4
[M+K]+ 467.07616 196.0
[M+H-H2O]+ 411.11026 183.5
[M+HCOO]- 473.11120 202.1
[M+CH3COO]- 487.12685 223.6
[M+Na-2H]- 449.08767 197.5
[M]+ 428.11245 191.2
[M]- 428.11355 191.2
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.