CID 5539098

Nsc624738

Structural Information

Molecular Formula
C13H10FN3O
SMILES
C1=CC(=CC(=C1)F)/C=N\NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C13H10FN3O/c14-12-3-1-2-10(8-12)9-16-17-13(18)11-4-6-15-7-5-11/h1-9H,(H,17,18)/b16-9-
InChIKey
IRBHNKPBXBJIAJ-SXGWCWSVSA-N
Compound name
N-[(Z)-(3-fluorophenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

243.0808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08808 151.6
[M+Na]+ 266.07002 158.8
[M-H]- 242.07352 157.0
[M+NH4]+ 261.11462 167.3
[M+K]+ 282.04396 155.0
[M+H-H2O]+ 226.07806 141.7
[M+HCOO]- 288.07900 177.2
[M+CH3COO]- 302.09465 197.7
[M+Na-2H]- 264.05547 159.1
[M]+ 243.08025 149.8
[M]- 243.08135 149.8
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.