CID 5888676

Nsc615417

Structural Information

Molecular Formula
C14H12FN3O2
SMILES
COC1=C(C=C(C=C1)/C=N\NC(=O)C2=CC=NC=C2)F
InChI
InChI=1S/C14H12FN3O2/c1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11/h2-9H,1H3,(H,18,19)/b17-9-
InChIKey
RJAPXLZPQZXMCI-MFOYZWKCSA-N
Compound name
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

273.09137 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09865 159.5
[M+Na]+ 296.08059 167.0
[M-H]- 272.08409 165.1
[M+NH4]+ 291.12519 174.2
[M+K]+ 312.05453 163.6
[M+H-H2O]+ 256.08863 149.3
[M+HCOO]- 318.08957 184.9
[M+CH3COO]- 332.10522 204.0
[M+Na-2H]- 294.06604 165.7
[M]+ 273.09082 159.9
[M]- 273.09192 159.9
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.