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]+ 422.06294 189.9
[M+Na]+ 444.04488 198.7
[M-H]- 420.04838 198.2
[M+NH4]+ 439.08948 201.8
[M+K]+ 460.01882 184.3
[M+H-H2O]+ 404.05292 186.4
[M+HCOO]- 466.05386 200.7
[M+CH3COO]- 480.06951 200.1
[M+Na-2H]- 442.03033 191.9
[M]+ 421.05511 206.7
[M]- 421.05621 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.