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
4
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 161.0
[M+Na]+ 300.09548 169.8
[M-H]- 276.09898 161.1
[M+NH4]+ 295.14008 175.0
[M+K]+ 316.06942 166.2
[M+H-H2O]+ 260.10352 154.3
[M+HCOO]- 322.10446 175.8
[M+CH3COO]- 336.12011 193.1
[M+Na-2H]- 298.08093 161.1
[M]+ 277.10571 160.3
[M]- 277.10681 160.3
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.