CID 980069

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

Structural Information

Molecular Formula
C19H22BrN3O2
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Br
InChI
InChI=1S/C19H22BrN3O2/c1-25-16-8-6-15(7-9-16)23-12-10-22(11-13-23)14-19(24)21-18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
InChIKey
OJHBHUYFHBRCJV-UHFFFAOYSA-N
Compound name
N-(2-bromophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.08954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.096816 187.1
[M+Na]+ 426.078758 193.7
[M-H]- 402.082264 195.2
[M+NH4]+ 421.123363 198.2
[M+K]+ 442.052698 181.5
[M+H-H2O]+ 386.086800 182.8
[M+HCOO]- 448.087741 202.3
[M+CH3COO]- 462.103391 219.0
[M+Na-2H]- 424.064206 190.1
[M]+ 403.08899142 202.5
[M]- 403.09008858 202.5
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.