CID 9574531

N-[(e)-1-(3-fluoro-4-methoxy-phenyl)ethylideneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C15H14FN3O2
SMILES
C/C(=N\NC(=O)C1=CC=NC=C1)/C2=CC(=C(C=C2)OC)F
InChI
InChI=1S/C15H14FN3O2/c1-10(12-3-4-14(21-2)13(16)9-12)18-19-15(20)11-5-7-17-8-6-11/h3-9H,1-2H3,(H,19,20)/b18-10+
InChIKey
XGCGENUAWUKIJL-VCHYOVAHSA-N
Compound name
N-[(E)-1-(3-fluoro-4-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11428 164.5
[M+Na]+ 310.09622 171.2
[M-H]- 286.09972 170.0
[M+NH4]+ 305.14082 178.5
[M+K]+ 326.07016 168.2
[M+H-H2O]+ 270.10426 154.2
[M+HCOO]- 332.10520 188.5
[M+CH3COO]- 346.12085 207.9
[M+Na-2H]- 308.08167 168.9
[M]+ 287.10645 164.6
[M]- 287.10755 164.6
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

No patent data available for this compound.