CID 3013039

Chembl183018

Structural Information

Molecular Formula
C10H8N2O4S
SMILES
COC1=NC(=NC(=C1O)C(=O)O)C2=CC=CS2
InChI
InChI=1S/C10H8N2O4S/c1-16-9-7(13)6(10(14)15)11-8(12-9)5-3-2-4-17-5/h2-4,13H,1H3,(H,14,15)
InChIKey
WUZMLYLMMBDHSZ-UHFFFAOYSA-N
Compound name
5-hydroxy-6-methoxy-2-thiophen-2-ylpyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

252.02048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02776 151.4
[M+Na]+ 275.00970 161.4
[M-H]- 251.01320 154.3
[M+NH4]+ 270.05430 167.0
[M+K]+ 290.98364 157.9
[M+H-H2O]+ 235.01774 144.7
[M+HCOO]- 297.01868 167.3
[M+CH3COO]- 311.03433 185.9
[M+Na-2H]- 272.99515 152.1
[M]+ 252.01993 155.1
[M]- 252.02103 155.1
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.