CID 9634269

2-[4-(2-chlorobenzyl)piperazin-1-yl]-n'-[(1z)-1-(3,4-dichlorophenyl)ethylidene]acetohydrazide

Structural Information

Molecular Formula
C21H23Cl3N4O
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2Cl)/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H23Cl3N4O/c1-15(16-6-7-19(23)20(24)12-16)25-26-21(29)14-28-10-8-27(9-11-28)13-17-4-2-3-5-18(17)22/h2-7,12H,8-11,13-14H2,1H3,(H,26,29)/b25-15+
InChIKey
BLSBUZAGARPYFQ-MFKUBSTISA-N
Compound name
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.09375 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.10103 204.8
[M+Na]+ 475.08297 209.9
[M-H]- 451.08647 209.6
[M+NH4]+ 470.12757 212.1
[M+K]+ 491.05691 202.3
[M+H-H2O]+ 435.09101 194.5
[M+HCOO]- 497.09195 208.1
[M+CH3COO]- 511.10760 234.3
[M+Na-2H]- 473.06842 202.6
[M]+ 452.09320 205.3
[M]- 452.09430 205.3
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.