CID 6852540

Nsc655521

Structural Information

Molecular Formula
C14H12FN3O
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC=C(C=C2)F
InChI
InChI=1S/C14H12FN3O/c1-10(11-2-4-13(15)5-3-11)17-18-14(19)12-6-8-16-9-7-12/h2-9H,1H3,(H,18,19)/b17-10+
InChIKey
OVJNGQLXMSFBPS-LICLKQGHSA-N
Compound name
N-[(E)-1-(4-fluorophenyl)ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

257.09644 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10372 156.7
[M+Na]+ 280.08566 163.1
[M-H]- 256.08916 162.0
[M+NH4]+ 275.13026 171.8
[M+K]+ 296.05960 159.6
[M+H-H2O]+ 240.09370 146.7
[M+HCOO]- 302.09464 180.9
[M+CH3COO]- 316.11029 201.6
[M+Na-2H]- 278.07111 162.4
[M]+ 257.09589 154.6
[M]- 257.09699 154.6
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.