CID 135400468

Flavoteben

Structural Information

Molecular Formula
C13H11N3O2
SMILES
C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)O
InChI
InChI=1S/C13H11N3O2/c17-12-3-1-10(2-4-12)9-15-16-13(18)11-5-7-14-8-6-11/h1-9,17H,(H,16,18)/b15-9+
InChIKey
MXEBNXXQDJLMTC-OQLLNIDSSA-N
Compound name
N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

5
Patents

241.08513 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 152.0
[M+Na]+ 264.07435 158.6
[M-H]- 240.07785 157.5
[M+NH4]+ 259.11895 167.1
[M+K]+ 280.04829 155.0
[M+H-H2O]+ 224.08239 143.2
[M+HCOO]- 286.08333 177.4
[M+CH3COO]- 300.09898 194.7
[M+Na-2H]- 262.05980 159.7
[M]+ 241.08458 150.9
[M]- 241.08568 150.9
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

patents stripe