CID 980064

N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C18H19BrClN3O
SMILES
C1CN(CCN1CC(=O)NC2=CC=CC=C2Br)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H19BrClN3O/c19-16-6-1-2-7-17(16)21-18(24)13-22-8-10-23(11-9-22)15-5-3-4-14(20)12-15/h1-7,12H,8-11,13H2,(H,21,24)
InChIKey
LCYJLYCXOIGKSH-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.04 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.04728 185.9
[M+Na]+ 430.02922 190.7
[M+NH4]+ 425.07382 190.1
[M+K]+ 446.00316 188.2
[M-H]- 406.03272 189.6
[M+Na-2H]- 428.01467 191.1
[M]+ 407.03945 186.7
[M]- 407.04055 186.7
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

No patent data available for this compound.