CID 135434614

5,6-dihydroxy-2-[3-(2-hydroxyethyl)(2-thienyl)]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O5S
SMILES
C1=CSC(=C1CCO)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C11H10N2O5S/c14-3-1-5-2-4-19-8(5)9-12-6(11(17)18)7(15)10(16)13-9/h2,4,14-15H,1,3H2,(H,17,18)(H,12,13,16)
InChIKey
UUBDJZSCDCPOIL-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[3-(2-hydroxyethyl)thiophen-2-yl]-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.03104 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.03832 158.9
[M+Na]+ 305.02026 168.2
[M-H]- 281.02376 159.1
[M+NH4]+ 300.06486 171.9
[M+K]+ 320.99420 162.8
[M+H-H2O]+ 265.02830 152.6
[M+HCOO]- 327.02924 171.7
[M+CH3COO]- 341.04489 187.3
[M+Na-2H]- 303.00571 157.7
[M]+ 282.03049 160.4
[M]- 282.03159 160.4
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.