CID 139595302

2567504-97-4

Structural Information

Molecular Formula
C13H15N3O4
SMILES
CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C(=O)O)O)C
InChI
InChI=1S/C13H15N3O4/c1-6(2)13(3)12(20)15-10(16-13)9-8(17)4-7(5-14-9)11(18)19/h4-6,17H,1-3H3,(H,18,19)(H,15,16,20)
InChIKey
HSZSMTXJHICIFJ-UHFFFAOYSA-N
Compound name
5-hydroxy-6-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

277.10626 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11354 162.7
[M+Na]+ 300.09548 172.5
[M+NH4]+ 295.14008 167.8
[M+K]+ 316.06942 170.1
[M-H]- 276.09898 160.8
[M+Na-2H]- 298.08093 166.6
[M]+ 277.10571 163.2
[M]- 277.10681 163.2
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

No patent data available for this compound.