CID 13568074

4-amino-2-chloro-6-oxo-1,6-dihydropyridine-3-carbonitrile

Structural Information

Molecular Formula
C6H4ClN3O
SMILES
C1=C(C(=C(NC1=O)Cl)C#N)N
InChI
InChI=1S/C6H4ClN3O/c7-6-3(2-8)4(9)1-5(11)10-6/h1H,(H3,9,10,11)
InChIKey
PRKDALRXFCEHOV-UHFFFAOYSA-N
Compound name
4-amino-2-chloro-6-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

169.00429 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01157 130.8
[M+Na]+ 191.99351 143.3
[M+NH4]+ 187.03811 135.1
[M+K]+ 207.96745 134.8
[M-H]- 167.99701 124.9
[M+Na-2H]- 189.97896 134.5
[M]+ 169.00374 130.1
[M]- 169.00484 130.1
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