CID 4962837

848316-19-8

Structural Information

Molecular Formula
C10H10N2O4
SMILES
CCOC(=O)C1=C(OC2=C1C(=O)NC=N2)C
InChI
InChI=1S/C10H10N2O4/c1-3-15-10(14)6-5(2)16-9-7(6)8(13)11-4-12-9/h4H,3H2,1-2H3,(H,11,12,13)
InChIKey
AHMZKPGQSMMFKX-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

222.06406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 143.6
[M+Na]+ 245.053278 155.5
[M-H]- 221.056784 146.2
[M+NH4]+ 240.097883 160.8
[M+K]+ 261.027218 153.7
[M+H-H2O]+ 205.061320 137.1
[M+HCOO]- 267.062261 165.1
[M+CH3COO]- 281.077911 184.8
[M+Na-2H]- 243.038726 149.8
[M]+ 222.06351142 149.5
[M]- 222.06460858 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe