CID 6479577

1-piperidineacetic acid, (p-phenoxyphenacylidene)hydrazide, hydrochloride

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
1
Annotation Hits

0
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]+ 366.18123 186.2
[M+Na]+ 388.16317 187.4
[M-H]- 364.16667 193.9
[M+NH4]+ 383.20777 195.6
[M+K]+ 404.13711 183.7
[M+H-H2O]+ 348.17121 174.6
[M+HCOO]- 410.17215 206.5
[M+CH3COO]- 424.18780 220.5
[M+Na-2H]- 386.14862 188.7
[M]+ 365.17340 182.7
[M]- 365.17450 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.