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]+ 386.16298 191.6
[M+Na]+ 408.14492 195.9
[M-H]- 384.14842 198.6
[M+NH4]+ 403.18952 200.8
[M+K]+ 424.11886 190.8
[M+H-H2O]+ 368.15296 180.6
[M+HCOO]- 430.15390 203.6
[M+CH3COO]- 444.16955 224.1
[M+Na-2H]- 406.13037 190.5
[M]+ 385.15515 191.4
[M]- 385.15625 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.