CID 7407957

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

Structural Information

Molecular Formula
C20H24ClN5O
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2Cl)/C3=CN=CC=C3
InChI
InChI=1S/C20H24ClN5O/c1-16(17-6-4-8-22-13-17)23-24-20(27)15-26-11-9-25(10-12-26)14-18-5-2-3-7-19(18)21/h2-8,13H,9-12,14-15H2,1H3,(H,24,27)/b23-16+
InChIKey
OJMMFQAUGAEHRY-XQNSMLJCSA-N
Compound name
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-1-pyridin-3-ylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.16693 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17421 192.5
[M+Na]+ 408.15615 195.9
[M-H]- 384.15965 197.7
[M+NH4]+ 403.20075 199.8
[M+K]+ 424.13009 189.5
[M+H-H2O]+ 368.16419 180.1
[M+HCOO]- 430.16513 205.2
[M+CH3COO]- 444.18078 224.0
[M+Na-2H]- 406.14160 194.5
[M]+ 385.16638 190.3
[M]- 385.16748 190.3
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.