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]+ 404.09682 187.1
[M+Na]+ 426.07876 193.7
[M-H]- 402.08226 195.2
[M+NH4]+ 421.12336 198.2
[M+K]+ 442.05270 181.5
[M+H-H2O]+ 386.08680 182.8
[M+HCOO]- 448.08774 202.3
[M+CH3COO]- 462.10339 219.0
[M+Na-2H]- 424.06421 190.1
[M]+ 403.08899 202.5
[M]- 403.09009 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.