CID 5450625

Dtxsid401328807

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-XLNRJJMWSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-[(Z)-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 185.7
[M+Na]+ 374.19512 197.2
[M+NH4]+ 369.23972 191.7
[M+K]+ 390.16906 189.8
[M-H]- 350.19862 190.9
[M+Na-2H]- 372.18057 194.5
[M]+ 351.20535 188.5
[M]- 351.20645 188.5
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.