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

6
Patents

169.00429 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.011566 133.3
[M+Na]+ 191.993508 145.8
[M-H]- 167.997014 134.3
[M+NH4]+ 187.038113 150.5
[M+K]+ 207.967448 141.0
[M+H-H2O]+ 152.001550 121.9
[M+HCOO]- 214.002491 148.9
[M+CH3COO]- 228.018141 189.0
[M+Na-2H]- 189.978956 138.4
[M]+ 169.00374142 127.5
[M]- 169.00483858 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