CID 9617944

2-(4-benzyl-1-piperazinyl)-n'-(1-(4-pyridinyl)ethylidene)acetohydrazide

Structural Information

Molecular Formula
C20H25N5O
SMILES
C/C(=N\NC(=O)CN1CCN(CC1)CC2=CC=CC=C2)/C3=CC=NC=C3
InChI
InChI=1S/C20H25N5O/c1-17(19-7-9-21-10-8-19)22-23-20(26)16-25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,23,26)/b22-17+
InChIKey
QYIZBMIHQMWEEQ-OQKWZONESA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(E)-1-pyridin-4-ylethylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

351.2059 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21318 185.4
[M+Na]+ 374.19512 187.1
[M-H]- 350.19862 190.4
[M+NH4]+ 369.23972 192.8
[M+K]+ 390.16906 182.1
[M+H-H2O]+ 334.20316 172.5
[M+HCOO]- 396.20410 202.7
[M+CH3COO]- 410.21975 219.3
[M+Na-2H]- 372.18057 188.7
[M]+ 351.20535 180.5
[M]- 351.20645 180.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.