CID 6897208

Mls001224308

Structural Information

Molecular Formula
C16H11N3O3
SMILES
C1=CC=C2C(=C1)C(=O)C(=CO2)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C16H11N3O3/c20-15-12(10-22-14-4-2-1-3-13(14)15)9-18-19-16(21)11-5-7-17-8-6-11/h1-10H,(H,19,21)/b18-9+
InChIKey
YFNDGAPTSYRUMC-GIJQJNRQSA-N
Compound name
N-[(E)-(4-oxochromen-3-yl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

293.08005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08733 164.4
[M+Na]+ 316.06927 172.6
[M-H]- 292.07277 172.9
[M+NH4]+ 311.11387 177.6
[M+K]+ 332.04321 169.6
[M+H-H2O]+ 276.07731 154.5
[M+HCOO]- 338.07825 189.2
[M+CH3COO]- 352.09390 206.9
[M+Na-2H]- 314.05472 174.0
[M]+ 293.07950 166.5
[M]- 293.08060 166.5
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.