CID 980072

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

Structural Information

Molecular Formula
C18H20BrN3O
SMILES
C1CN(CCN1CC(=O)NC2=CC=CC=C2Br)C3=CC=CC=C3
InChI
InChI=1S/C18H20BrN3O/c19-16-8-4-5-9-17(16)20-18(23)14-21-10-12-22(13-11-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,20,23)
InChIKey
OJFOUIYCIPZGFG-UHFFFAOYSA-N
Compound name
N-(2-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 180.0
[M+Na]+ 396.06820 186.4
[M-H]- 372.07170 187.9
[M+NH4]+ 391.11280 192.1
[M+K]+ 412.04214 173.8
[M+H-H2O]+ 356.07624 176.0
[M+HCOO]- 418.07718 195.4
[M+CH3COO]- 432.09283 190.2
[M+Na-2H]- 394.05365 184.2
[M]+ 373.07843 193.5
[M]- 373.07953 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.