CID 4177886

303091-36-3

Structural Information

Molecular Formula
C20H18F7N3O
SMILES
C1CN(CCN1CC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H18F7N3O/c21-15-1-3-17(4-2-15)30-7-5-29(6-8-30)12-18(31)28-16-10-13(19(22,23)24)9-14(11-16)20(25,26)27/h1-4,9-11H,5-8,12H2,(H,28,31)
InChIKey
BVPMHZWMFNDOBQ-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.13382 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.14110 194.0
[M+Na]+ 472.12304 197.5
[M+NH4]+ 467.16764 194.3
[M+K]+ 488.09698 193.8
[M-H]- 448.12654 188.8
[M+Na-2H]- 470.10849 194.8
[M]+ 449.13327 192.6
[M]- 449.13437 192.6
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.