CID 616970

61424-81-5

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 156.5
[M+Na]+ 260.04305 172.2
[M+NH4]+ 255.08765 161.6
[M+K]+ 276.01699 161.6
[M-H]- 236.04655 153.8
[M+Na-2H]- 258.02850 160.6
[M]+ 237.05328 157.3
[M]- 237.05438 157.3
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