CID 1214066

1-piperazineacetamide, n-(2-benzoyl-4-chlorophenyl)-4-methyl-, monohydrochloride

Structural Information

Molecular Formula
C20H22ClN3O2
SMILES
CN1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H22ClN3O2/c1-23-9-11-24(12-10-23)14-19(25)22-18-8-7-16(21)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,22,25)
InChIKey
ITBJZJBYADUQJQ-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

371.14005 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.147326 188.0
[M+Na]+ 394.129268 192.6
[M-H]- 370.132774 193.8
[M+NH4]+ 389.173873 197.2
[M+K]+ 410.103208 186.4
[M+H-H2O]+ 354.137310 177.4
[M+HCOO]- 416.138251 199.8
[M+CH3COO]- 430.153901 217.9
[M+Na-2H]- 392.114716 188.1
[M]+ 371.13950142 186.2
[M]- 371.14059858 186.2
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.