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 185.1
[M+Na]+ 430.02922 193.5
[M-H]- 406.03272 193.2
[M+NH4]+ 425.07382 197.2
[M+K]+ 446.00316 179.2
[M+H-H2O]+ 390.03726 181.7
[M+HCOO]- 452.03820 196.2
[M+CH3COO]- 466.05385 195.5
[M+Na-2H]- 428.01467 188.3
[M]+ 407.03945 201.2
[M]- 407.04055 201.2
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.