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 133.3
[M+Na]+ 191.99351 145.8
[M-H]- 167.99701 134.3
[M+NH4]+ 187.03811 150.5
[M+K]+ 207.96745 141.0
[M+H-H2O]+ 152.00155 121.9
[M+HCOO]- 214.00249 148.9
[M+CH3COO]- 228.01814 189.0
[M+Na-2H]- 189.97896 138.4
[M]+ 169.00374 127.5
[M]- 169.00484 127.5
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