CID 6479577

1-piperidineacetic acid, [(1z)-2-oxo-2-(4-phenoxyphenyl)ethylidene]hydrazide

Structural Information

Molecular Formula
C21H23N3O3
SMILES
C1CCN(CC1)CC(=O)N/N=C/C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C21H23N3O3/c25-20(15-22-23-21(26)16-24-13-5-2-6-14-24)17-9-11-19(12-10-17)27-18-7-3-1-4-8-18/h1,3-4,7-12,15H,2,5-6,13-14,16H2,(H,23,26)/b22-15+
InChIKey
OJGLOBXGIPLRJM-PXLXIMEGSA-N
Compound name
N-[(E)-[2-oxo-2-(4-phenoxyphenyl)ethylidene]amino]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.181226 186.2
[M+Na]+ 388.163168 187.4
[M-H]- 364.166674 193.9
[M+NH4]+ 383.207773 195.6
[M+K]+ 404.137108 183.7
[M+H-H2O]+ 348.171210 174.6
[M+HCOO]- 410.172151 206.5
[M+CH3COO]- 424.187801 220.5
[M+Na-2H]- 386.148616 188.7
[M]+ 365.17340142 182.7
[M]- 365.17449858 182.7
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.