CID 9575512

N-[(e)-(3-methoxy-4-phenoxy-phenyl)methyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C20H17N3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C20H17N3O3/c1-25-19-13-15(7-8-18(19)26-17-5-3-2-4-6-17)14-22-23-20(24)16-9-11-21-12-10-16/h2-14H,1H3,(H,23,24)/b22-14+
InChIKey
FLMQNBPAGXLFBI-HYARGMPZSA-N
Compound name
N-[(E)-(3-methoxy-4-phenoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.12698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.13426 181.0
[M+Na]+ 370.11620 186.7
[M-H]- 346.11970 190.4
[M+NH4]+ 365.16080 191.8
[M+K]+ 386.09014 182.5
[M+H-H2O]+ 330.12424 169.5
[M+HCOO]- 392.12518 206.7
[M+CH3COO]- 406.14083 217.5
[M+Na-2H]- 368.10165 187.3
[M]+ 347.12643 183.0
[M]- 347.12753 183.0
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.