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 192.6
[M-H]- 370.13277 193.8
[M+NH4]+ 389.17387 197.2
[M+K]+ 410.10321 186.4
[M+H-H2O]+ 354.13731 177.4
[M+HCOO]- 416.13825 199.8
[M+CH3COO]- 430.15390 217.9
[M+Na-2H]- 392.11472 188.1
[M]+ 371.13950 186.2
[M]- 371.14060 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.