CID 381334

Nsc667855

Structural Information

Molecular Formula
C13H17N3O6
SMILES
CCOC(=O)N1CC2C(O1)CC(O2)N3C=C(C(=O)NC3=O)C
InChI
InChI=1S/C13H17N3O6/c1-3-20-13(19)16-6-9-8(22-16)4-10(21-9)15-5-7(2)11(17)14-12(15)18/h5,8-10H,3-4,6H2,1-2H3,(H,14,17,18)
InChIKey
PDQYOGFGOAYGMK-UHFFFAOYSA-N
Compound name
ethyl 5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3a,5,6,6a-tetrahydro-3H-furo[2,3-d][1,2]oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.11172 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.11900 167.8
[M+Na]+ 334.10094 177.0
[M-H]- 310.10444 172.4
[M+NH4]+ 329.14554 179.9
[M+K]+ 350.07488 176.4
[M+H-H2O]+ 294.10898 161.1
[M+HCOO]- 356.10992 182.7
[M+CH3COO]- 370.12557 200.6
[M+Na-2H]- 332.08639 167.1
[M]+ 311.11117 171.3
[M]- 311.11227 171.3
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.