CID 135881427

2-(furan-2-yl)-4-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O4
SMILES
CC1=C(C(=O)NC(=N1)C2=CC=CO2)C(=O)O
InChI
InChI=1S/C10H8N2O4/c1-5-7(10(14)15)9(13)12-8(11-5)6-3-2-4-16-6/h2-4H,1H3,(H,14,15)(H,11,12,13)
InChIKey
RGHGISXYJTWAEH-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.0484 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.055676 143.5
[M+Na]+ 243.037618 153.7
[M-H]- 219.041124 146.9
[M+NH4]+ 238.082223 158.4
[M+K]+ 259.011558 151.3
[M+H-H2O]+ 203.045660 136.4
[M+HCOO]- 265.046601 163.6
[M+CH3COO]- 279.062251 181.6
[M+Na-2H]- 241.023066 147.6
[M]+ 220.04785142 144.8
[M]- 220.04894858 144.8
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.