CID 17485412

2-(furan-2-yl)-4-methyl-6-(methylsulfanyl)pyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C11H10N2O3S
SMILES
CC1=C(C(=NC(=N1)C2=CC=CO2)SC)C(=O)O
InChI
InChI=1S/C11H10N2O3S/c1-6-8(11(14)15)10(17-2)13-9(12-6)7-4-3-5-16-7/h3-5H,1-2H3,(H,14,15)
InChIKey
PGNDWIUHNXRXQF-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.04121 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04849 154.4
[M+Na]+ 273.03043 167.1
[M+NH4]+ 268.07503 161.3
[M+K]+ 289.00437 162.3
[M-H]- 249.03393 157.2
[M+Na-2H]- 271.01588 159.4
[M]+ 250.04066 157.4
[M]- 250.04176 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.