CID 135434563

2-(3-acetamido-2-thienyl)-5,6-dihydroxy-pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H9N3O5S
SMILES
CC(=O)NC1=C(SC=C1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C11H9N3O5S/c1-4(15)12-5-2-3-20-8(5)9-13-6(11(18)19)7(16)10(17)14-9/h2-3,16H,1H3,(H,12,15)(H,18,19)(H,13,14,17)
InChIKey
GTFRBFIEGKUCTA-UHFFFAOYSA-N
Compound name
2-(3-acetamidothiophen-2-yl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.0263 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.03358 161.9
[M+Na]+ 318.01552 170.6
[M-H]- 294.01902 163.6
[M+NH4]+ 313.06012 174.5
[M+K]+ 333.98946 166.0
[M+H-H2O]+ 278.02356 155.1
[M+HCOO]- 340.02450 176.3
[M+CH3COO]- 354.04015 194.4
[M+Na-2H]- 316.00097 160.8
[M]+ 295.02575 163.0
[M]- 295.02685 163.0
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

No patent data available for this compound.