CID 55263

Piroximone

Structural Information

Molecular Formula
C11H11N3O2
SMILES
CCC1=C(NC(=O)N1)C(=O)C2=CC=NC=C2
InChI
InChI=1S/C11H11N3O2/c1-2-8-9(14-11(16)13-8)10(15)7-3-5-12-6-4-7/h3-6H,2H2,1H3,(H2,13,14,16)
InChIKey
OQGWJZOWLHWFME-UHFFFAOYSA-N
Compound name
4-ethyl-5-(pyridine-4-carbonyl)-1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

68
References

1315
Patents

217.08513 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.09241 146.9
[M+Na]+ 240.07435 155.9
[M-H]- 216.07785 147.6
[M+NH4]+ 235.11895 161.6
[M+K]+ 256.04829 151.0
[M+H-H2O]+ 200.08239 138.7
[M+HCOO]- 262.08333 165.9
[M+CH3COO]- 276.09898 181.7
[M+Na-2H]- 238.05980 150.3
[M]+ 217.08458 145.1
[M]- 217.08568 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe