CID 9554949

Nsc211448

Structural Information

Molecular Formula
C15H15N3O3
SMILES
COC1=CC=CC(=C1OC)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C15H15N3O3/c1-20-13-5-3-4-12(14(13)21-2)10-17-18-15(19)11-6-8-16-9-7-11/h3-10H,1-2H3,(H,18,19)/b17-10+
InChIKey
PEDGLJHLSKSDOC-LICLKQGHSA-N
Compound name
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.11133 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.1
[M+Na]+ 308.10055 170.9
[M-H]- 284.10405 171.0
[M+NH4]+ 303.14515 178.3
[M+K]+ 324.07449 168.5
[M+H-H2O]+ 268.10859 154.5
[M+HCOO]- 330.10953 190.4
[M+CH3COO]- 344.12518 206.5
[M+Na-2H]- 306.08600 170.5
[M]+ 285.11078 167.3
[M]- 285.11188 167.3
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

patents stripe