CID 4136125

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

Structural Information

Molecular Formula
C18H18BrCl2N3O
SMILES
C1CN(CCN1CC(=O)NC2=CC=CC=C2Br)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H18BrCl2N3O/c19-14-3-1-2-4-17(14)22-18(25)12-23-7-9-24(10-8-23)13-5-6-15(20)16(21)11-13/h1-6,11H,7-10,12H2,(H,22,25)
InChIKey
JLERSXYAMOXWJX-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-[4-(3,4-dichlorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.00104 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.00832 188.9
[M+Na]+ 463.99026 198.6
[M-H]- 439.99376 196.6
[M+NH4]+ 459.03486 200.5
[M+K]+ 479.96420 183.5
[M+H-H2O]+ 423.99830 185.9
[M+HCOO]- 485.99924 195.2
[M+CH3COO]- 500.01489 198.9
[M+Na-2H]- 461.97571 190.9
[M]+ 441.00049 206.4
[M]- 441.00159 206.4
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.