CID 135483804

Chembl202445

Structural Information

Molecular Formula
C14H13N3O3
SMILES
COC1=CC=CC(=C1O)/C=N/NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C14H13N3O3/c1-20-12-6-2-4-10(13(12)18)9-16-17-14(19)11-5-3-7-15-8-11/h2-9,18H,1H3,(H,17,19)/b16-9+
InChIKey
DCBGFHCZZYSUBC-CXUHLZMHSA-N
Compound name
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.0957 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 159.7
[M+Na]+ 294.08492 166.6
[M-H]- 270.08842 165.4
[M+NH4]+ 289.12952 173.8
[M+K]+ 310.05886 163.5
[M+H-H2O]+ 254.09296 150.6
[M+HCOO]- 316.09390 184.9
[M+CH3COO]- 330.10955 201.1
[M+Na-2H]- 292.07037 166.2
[M]+ 271.09515 160.7
[M]- 271.09625 160.7
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.