CID 2452182

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(piperazin-1-yl)acetamide

Structural Information

Molecular Formula
C13H15ClF3N3O
SMILES
C1CN(CCN1)CC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F
InChI
InChI=1S/C13H15ClF3N3O/c14-11-2-1-9(7-10(11)13(15,16)17)19-12(21)8-20-5-3-18-4-6-20/h1-2,7,18H,3-6,8H2,(H,19,21)
InChIKey
JWDAIUNVDRCROM-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

321.08557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09285 167.7
[M+Na]+ 344.07479 175.3
[M+NH4]+ 339.11939 171.8
[M+K]+ 360.04873 170.5
[M-H]- 320.07829 164.9
[M+Na-2H]- 342.06024 171.1
[M]+ 321.08502 167.7
[M]- 321.08612 167.7
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

patents stripe