CID 1224062

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C19H19ClF3N3O
SMILES
C1CN(CCN1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H19ClF3N3O/c20-16-7-6-14(19(21,22)23)12-17(16)24-18(27)13-25-8-10-26(11-9-25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,24,27)
InChIKey
FDAIYWOUCNNSGG-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.11688 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.12416 191.0
[M+Na]+ 420.10610 196.9
[M-H]- 396.10960 192.9
[M+NH4]+ 415.15070 199.3
[M+K]+ 436.08004 189.2
[M+H-H2O]+ 380.11414 178.0
[M+HCOO]- 442.11508 198.9
[M+CH3COO]- 456.13073 220.4
[M+Na-2H]- 418.09155 191.6
[M]+ 397.11633 185.0
[M]- 397.11743 185.0
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

No patent data available for this compound.