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]+ 286.118606 164.1
[M+Na]+ 308.100548 170.9
[M-H]- 284.104054 171.0
[M+NH4]+ 303.145153 178.3
[M+K]+ 324.074488 168.5
[M+H-H2O]+ 268.108590 154.5
[M+HCOO]- 330.109531 190.4
[M+CH3COO]- 344.125181 206.5
[M+Na-2H]- 306.085996 170.5
[M]+ 285.11078142 167.3
[M]- 285.11187858 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