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

4
Patents

321.08557 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.092846 169.2
[M+Na]+ 344.074788 175.1
[M-H]- 320.078294 166.9
[M+NH4]+ 339.119393 180.3
[M+K]+ 360.048728 168.6
[M+H-H2O]+ 304.082830 158.6
[M+HCOO]- 366.083771 176.5
[M+CH3COO]- 380.099421 203.1
[M+Na-2H]- 342.060236 170.8
[M]+ 321.08502142 161.1
[M]- 321.08611858 161.1
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