CID 135434615

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

Structural Information

Molecular Formula
C10H8N2O5S
SMILES
COC1=CSC(=C1)C2=NC(=C(C(=O)N2)O)C(=O)O
InChI
InChI=1S/C10H8N2O5S/c1-17-4-2-5(18-3-4)8-11-6(10(15)16)7(13)9(14)12-8/h2-3,13H,1H3,(H,15,16)(H,11,12,14)
InChIKey
SKYRIFFGEMWFCF-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(4-methoxythiophen-2-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.01538 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02266 154.3
[M+Na]+ 291.00460 164.5
[M-H]- 267.00810 156.1
[M+NH4]+ 286.04920 168.6
[M+K]+ 306.97854 160.2
[M+H-H2O]+ 251.01264 147.9
[M+HCOO]- 313.01358 168.9
[M+CH3COO]- 327.02923 186.5
[M+Na-2H]- 288.99005 154.0
[M]+ 268.01483 157.2
[M]- 268.01593 157.2
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.