CID 991645

N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide

Structural Information

Molecular Formula
C18H20BrN3O
SMILES
C1CN(CCN1CC(=O)NC2=CC=C(C=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C18H20BrN3O/c19-15-6-8-16(9-7-15)20-18(23)14-21-10-12-22(13-11-21)17-4-2-1-3-5-17/h1-9H,10-14H2,(H,20,23)
InChIKey
KKQNGFDPBOUNHF-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.07898 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08626 179.3
[M+Na]+ 396.06820 183.0
[M+NH4]+ 391.11280 183.3
[M+K]+ 412.04214 181.3
[M-H]- 372.07170 183.0
[M+Na-2H]- 394.05365 184.8
[M]+ 373.07843 179.7
[M]- 373.07953 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.