CID 135622851

2-(4-benzyl-1-piperazinyl)-n'-(1-(4-ho-3-methoxyphenyl)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C22H28N4O3
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2)/C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C22H28N4O3/c1-17(19-8-9-20(27)21(14-19)29-2)23-24-22(28)16-26-12-10-25(11-13-26)15-18-6-4-3-5-7-18/h3-9,14,27H,10-13,15-16H2,1-2H3,(H,24,28)/b23-17+
InChIKey
VONFUUYMCGWMCY-HAVVHWLPSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.21616 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.223436 196.5
[M+Na]+ 419.205378 198.4
[M-H]- 395.208884 202.1
[M+NH4]+ 414.249983 203.3
[M+K]+ 435.179318 194.1
[M+H-H2O]+ 379.213420 184.6
[M+HCOO]- 441.214361 213.5
[M+CH3COO]- 455.230011 227.0
[M+Na-2H]- 417.190826 196.9
[M]+ 396.21561142 193.6
[M]- 396.21670858 193.6
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.