CID 619587

2-amino-7-ethyl-5-oxo-5h-[1]benzopyrano[2,3-b]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C15H11N3O2
SMILES
CCC1=CC2=C(C=C1)OC3=C(C2=O)C=C(C(=N3)N)C#N
InChI
InChI=1S/C15H11N3O2/c1-2-8-3-4-12-10(5-8)13(19)11-6-9(7-16)14(17)18-15(11)20-12/h3-6H,2H2,1H3,(H2,17,18)
InChIKey
IFFWYGUKOXLYBB-UHFFFAOYSA-N
Compound name
2-amino-7-ethyl-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

265.0851 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.09238 163.9
[M+Na]+ 288.07432 178.3
[M-H]- 264.07782 167.8
[M+NH4]+ 283.11892 178.3
[M+K]+ 304.04826 171.9
[M+H-H2O]+ 248.08236 149.6
[M+HCOO]- 310.08330 182.2
[M+CH3COO]- 324.09895 175.2
[M+Na-2H]- 286.05977 171.0
[M]+ 265.08455 162.4
[M]- 265.08565 162.4
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