CID 6479571

1-piperidineacetic acid, (p-phenylphenacylidene)hydrazide

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1CCN(CC1)CC(=O)N/N=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H23N3O2/c25-20(15-22-23-21(26)16-24-13-5-2-6-14-24)19-11-9-18(10-12-19)17-7-3-1-4-8-17/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,23,26)/b22-15+
InChIKey
IVZBHHVYSQKJTB-PXLXIMEGSA-N
Compound name
N-[(E)-[2-oxo-2-(4-phenylphenyl)ethylidene]amino]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 183.7
[M+Na]+ 372.168238 185.1
[M-H]- 348.171744 191.4
[M+NH4]+ 367.212843 193.8
[M+K]+ 388.142178 180.6
[M+H-H2O]+ 332.176280 172.3
[M+HCOO]- 394.177221 203.8
[M+CH3COO]- 408.192871 218.3
[M+Na-2H]- 370.153686 186.0
[M]+ 349.17847142 178.7
[M]- 349.17956858 178.7
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.