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]+ 397.22344 196.5
[M+Na]+ 419.20538 198.4
[M-H]- 395.20888 202.1
[M+NH4]+ 414.24998 203.3
[M+K]+ 435.17932 194.1
[M+H-H2O]+ 379.21342 184.6
[M+HCOO]- 441.21436 213.5
[M+CH3COO]- 455.23001 227.0
[M+Na-2H]- 417.19083 196.9
[M]+ 396.21561 193.6
[M]- 396.21671 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.