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

literature stripe

Patent stripe

patents stripe