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
6
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]+ 278.113536 161.0
[M+Na]+ 300.095478 169.8
[M-H]- 276.098984 161.1
[M+NH4]+ 295.140083 175.0
[M+K]+ 316.069418 166.2
[M+H-H2O]+ 260.103520 154.3
[M+HCOO]- 322.104461 175.8
[M+CH3COO]- 336.120111 193.1
[M+Na-2H]- 298.080926 161.1
[M]+ 277.10571142 160.3
[M]- 277.10680858 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.