CID 735927

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

Structural Information

Molecular Formula
C13H6ClN3O2
SMILES
C1=CC2=C(C=C1Cl)C(=O)C3=C(O2)N=C(C(=C3)C#N)N
InChI
InChI=1S/C13H6ClN3O2/c14-7-1-2-10-8(4-7)11(18)9-3-6(5-15)12(16)17-13(9)19-10/h1-4H,(H2,16,17)
InChIKey
CRDSZSMHAAGKEY-UHFFFAOYSA-N
Compound name
2-amino-7-chloro-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

271.01486 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.02214 162.0
[M+Na]+ 294.00408 178.0
[M-H]- 270.00758 165.9
[M+NH4]+ 289.04868 176.9
[M+K]+ 309.97802 170.5
[M+H-H2O]+ 254.01212 148.8
[M+HCOO]- 316.01306 176.7
[M+CH3COO]- 330.02871 173.6
[M+Na-2H]- 291.98953 169.5
[M]+ 271.01431 161.9
[M]- 271.01541 161.9
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