CID 6861407

86189-87-9

Structural Information

Molecular Formula

C₁₃H₁₀FN₃O

SMILES

C1=CC(=CC=C1/C=N/NC(=O)C2=CC=NC=C2)F

InChI

InChI=1S/C13H10FN3O/c14-12-3-1-10(2-4-12)9-16-17-13(18)11-5-7-15-8-6-11/h1-9H,(H,17,18)/b16-9+

InChIKey

SVYYQPLGBPBEQO-CXUHLZMHSA-N

Compound name

N-[(E)-(4-fluorophenyl)methylideneamino]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 5
Patents: 243.0808 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe