CID 981628

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

Structural Information

Molecular Formula
C19H21BrClN3O
SMILES
CC1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)C3=CC(=CC=C3)Cl)Br
InChI
InChI=1S/C19H21BrClN3O/c1-14-11-16(5-6-18(14)20)22-19(25)13-23-7-9-24(10-8-23)17-4-2-3-15(21)12-17/h2-6,11-12H,7-10,13H2,1H3,(H,22,25)
InChIKey
HVHPPKZYQQOESV-UHFFFAOYSA-N
Compound name
N-(4-bromo-3-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.05566 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.062936 189.9
[M+Na]+ 444.044878 198.7
[M-H]- 420.048384 198.2
[M+NH4]+ 439.089483 201.8
[M+K]+ 460.018818 184.3
[M+H-H2O]+ 404.052920 186.4
[M+HCOO]- 466.053861 200.7
[M+CH3COO]- 480.069511 200.1
[M+Na-2H]- 442.030326 191.9
[M]+ 421.05511142 206.7
[M]- 421.05620858 206.7
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.