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]+ 298.054946 159.6
[M+Na]+ 320.036888 166.5
[M-H]- 296.040394 163.7
[M+NH4]+ 315.081493 174.5
[M+K]+ 336.010828 154.2
[M+H-H2O]+ 280.044930 157.2
[M+HCOO]- 342.045871 174.5
[M+CH3COO]- 356.061521 196.8
[M+Na-2H]- 318.022336 164.9
[M]+ 297.04712142 171.7
[M]- 297.04821858 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.