CID 135461024

Chembl3091645

Structural Information

Molecular Formula
C20H24N4O2
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CC(=C2O)CN3CCCCC3
InChI
InChI=1S/C20H24N4O2/c1-15(22-23-20(26)16-8-10-21-11-9-16)18-7-5-6-17(19(18)25)14-24-12-3-2-4-13-24/h5-11,25H,2-4,12-14H2,1H3,(H,23,26)/b22-15+
InChIKey
BWKNKNUVJAMNHZ-PXLXIMEGSA-N
Compound name
N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

352.1899 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19718 184.7
[M+Na]+ 375.17912 186.8
[M-H]- 351.18262 190.3
[M+NH4]+ 370.22372 193.1
[M+K]+ 391.15306 182.1
[M+H-H2O]+ 335.18716 173.1
[M+HCOO]- 397.18810 202.1
[M+CH3COO]- 411.20375 217.7
[M+Na-2H]- 373.16457 186.7
[M]+ 352.18935 179.3
[M]- 352.19045 179.3
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.