CID 3053913

1-piperazineacetamide, n-(2-benzoyl-4-chlorophenyl)-n,4-dimethyl-

Structural Information

Molecular Formula
C21H24ClN3O2
SMILES
CN1CCN(CC1)CC(=O)N(C)C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H24ClN3O2/c1-23-10-12-25(13-11-23)15-20(26)24(2)19-9-8-17(22)14-18(19)21(27)16-6-4-3-5-7-16/h3-9,14H,10-13,15H2,1-2H3
InChIKey
HMJVCTMUUSKOIJ-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1557 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.162976 191.6
[M+Na]+ 408.144918 195.9
[M-H]- 384.148424 198.6
[M+NH4]+ 403.189523 200.8
[M+K]+ 424.118858 190.8
[M+H-H2O]+ 368.152960 180.6
[M+HCOO]- 430.153901 203.6
[M+CH3COO]- 444.169551 224.1
[M+Na-2H]- 406.130366 190.5
[M]+ 385.15515142 191.4
[M]- 385.15624858 191.4
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.