CID 6879650

2-(4-benzyl-1-piperazinyl)-n'-(2,4-dichlorobenzylidene)acetohydrazide

Structural Information

Molecular Formula
C20H22Cl2N4O
SMILES
C1CN(CCN1CC2=CC=CC=C2)CC(=O)N/N=C/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C20H22Cl2N4O/c21-18-7-6-17(19(22)12-18)13-23-24-20(27)15-26-10-8-25(9-11-26)14-16-4-2-1-3-5-16/h1-7,12-13H,8-11,14-15H2,(H,24,27)/b23-13+
InChIKey
PPOVFYGIQDDSHW-YDZHTSKRSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.11707 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.12435 195.9
[M+Na]+ 427.10629 200.8
[M-H]- 403.10979 201.7
[M+NH4]+ 422.15089 204.7
[M+K]+ 443.08023 193.2
[M+H-H2O]+ 387.11433 184.8
[M+HCOO]- 449.11527 205.8
[M+CH3COO]- 463.13092 225.5
[M+Na-2H]- 425.09174 197.0
[M]+ 404.11652 195.6
[M]- 404.11762 195.6
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.