CID 135511231

3-pyridinecarboximidic acid, n-[1-[(e)-[(2e)-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazono]methyl]-4-[[(3-pyridinylcarbonyl)oxy]amino]butyl]-

Structural Information

Molecular Formula
C25H26N6O5
SMILES
COC1=C(C=CC(=C1)/C=N/N=C/C(CCCNOC(=O)C2=CN=CC=C2)NC(=O)C3=CN=CC=C3)O
InChI
InChI=1S/C25H26N6O5/c1-35-23-13-18(8-9-22(23)32)14-28-29-17-21(31-24(33)19-5-2-10-26-15-19)7-4-12-30-36-25(34)20-6-3-11-27-16-20/h2-3,5-6,8-11,13-17,21,30,32H,4,7,12H2,1H3,(H,31,33)/b28-14+,29-17+
InChIKey
FQAKHVDXUBDGNH-FEQOUWOSSA-N
Compound name
[[(5E)-5-[(E)-(4-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]-4-(pyridine-3-carbonylamino)pentyl]amino] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.19647 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.20375 213.5
[M+Na]+ 513.18569 214.4
[M-H]- 489.18919 220.8
[M+NH4]+ 508.23029 215.8
[M+K]+ 529.15963 211.3
[M+H-H2O]+ 473.19373 199.7
[M+HCOO]- 535.19467 236.8
[M+CH3COO]- 549.21032 248.8
[M+Na-2H]- 511.17114 217.5
[M]+ 490.19592 216.2
[M]- 490.19702 216.2
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.