CID 981650

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

Structural Information

Molecular Formula
C18H18ClF2N3O
SMILES
C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H18ClF2N3O/c19-16-11-14(3-6-17(16)21)22-18(25)12-23-7-9-24(10-8-23)15-4-1-13(20)2-5-15/h1-6,11H,7-10,12H2,(H,22,25)
InChIKey
WKQNSSFDLJNPDS-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.11066 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.11794 183.8
[M+Na]+ 388.09988 190.6
[M-H]- 364.10338 187.3
[M+NH4]+ 383.14448 193.7
[M+K]+ 404.07382 183.1
[M+H-H2O]+ 348.10792 171.6
[M+HCOO]- 410.10886 194.7
[M+CH3COO]- 424.12451 192.0
[M+Na-2H]- 386.08533 183.9
[M]+ 365.11011 179.5
[M]- 365.11121 179.5
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.