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 186.8
[M+Na]+ 426.07876 190.2
[M+NH4]+ 421.12336 190.1
[M+K]+ 442.05270 188.8
[M-H]- 402.08226 190.1
[M+Na-2H]- 424.06421 191.3
[M]+ 403.08899 186.9
[M]- 403.09009 186.9
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.