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]+ 374.086256 180.0
[M+Na]+ 396.068198 186.4
[M-H]- 372.071704 187.9
[M+NH4]+ 391.112803 192.1
[M+K]+ 412.042138 173.8
[M+H-H2O]+ 356.076240 176.0
[M+HCOO]- 418.077181 195.4
[M+CH3COO]- 432.092831 190.2
[M+Na-2H]- 394.053646 184.2
[M]+ 373.07843142 193.5
[M]- 373.07952858 193.5
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.