CID 135491424

Chembl3091649

Structural Information

Molecular Formula
C19H23N5O2
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=CC(=C2O)CN3CCNCC3
InChI
InChI=1S/C19H23N5O2/c1-14(22-23-19(26)15-5-7-20-8-6-15)17-4-2-3-16(18(17)25)13-24-11-9-21-10-12-24/h2-8,21,25H,9-13H2,1H3,(H,23,26)/b22-14+
InChIKey
BSMUHSKXRUBWTF-HYARGMPZSA-N
Compound name
N-[(E)-1-[2-hydroxy-3-(piperazin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.18518 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19246 184.2
[M+Na]+ 376.17440 186.4
[M-H]- 352.17790 187.4
[M+NH4]+ 371.21900 190.6
[M+K]+ 392.14834 180.8
[M+H-H2O]+ 336.18244 172.5
[M+HCOO]- 398.18338 199.3
[M+CH3COO]- 412.19903 215.3
[M+Na-2H]- 374.15985 186.7
[M]+ 353.18463 177.3
[M]- 353.18573 177.3
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.