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]+ 372.14733 188.0
[M+Na]+ 394.12927 201.5
[M+NH4]+ 389.17387 194.8
[M+K]+ 410.10321 193.7
[M-H]- 370.13277 193.0
[M+Na-2H]- 392.11472 196.0
[M]+ 371.13950 191.5
[M]- 371.14060 191.5
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.