CID 16637055

N-(4-bromophenyl)-2-(piperazin-1-yl)acetamide hydrochloride

Structural Information

Molecular Formula
C12H16BrN3O
SMILES
C1CN(CCN1)CC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H16BrN3O/c13-10-1-3-11(4-2-10)15-12(17)9-16-7-5-14-6-8-16/h1-4,14H,5-9H2,(H,15,17)
InChIKey
TZWKWBPSTJXRFJ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.04767 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.05495 159.6
[M+Na]+ 320.03689 166.5
[M-H]- 296.04039 163.7
[M+NH4]+ 315.08149 174.5
[M+K]+ 336.01083 154.2
[M+H-H2O]+ 280.04493 157.2
[M+HCOO]- 342.04587 174.5
[M+CH3COO]- 356.06152 196.8
[M+Na-2H]- 318.02234 164.9
[M]+ 297.04712 171.7
[M]- 297.04822 171.7
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.