CID 616970

2-amino-5-oxo-5h-(1)benzopyrano(2,3-b)pyridine-3-carbonitrile

Structural Information

Molecular Formula
C13H7N3O2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)N=C(C(=C3)C#N)N
InChI
InChI=1S/C13H7N3O2/c14-6-7-5-9-11(17)8-3-1-2-4-10(8)18-13(9)16-12(7)15/h1-5H,(H2,15,16)
InChIKey
OITYIVNLFRQWRA-UHFFFAOYSA-N
Compound name
2-amino-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

237.05383 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.06111 155.0
[M+Na]+ 260.04305 169.5
[M-H]- 236.04655 158.9
[M+NH4]+ 255.08765 170.1
[M+K]+ 276.01699 163.3
[M+H-H2O]+ 220.05109 140.9
[M+HCOO]- 282.05203 173.9
[M+CH3COO]- 296.06768 166.8
[M+Na-2H]- 258.02850 163.8
[M]+ 237.05328 152.5
[M]- 237.05438 152.5
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

patents stripe