CID 451499

77421-68-2

Structural Information

Molecular Formula
C12H14N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)C
InChI
InChI=1S/C12H14N2O5/c1-7-5-14(12(17)13-11(7)16)10-4-3-9(19-10)6-18-8(2)15/h3-5,9-10H,6H2,1-2H3,(H,13,16,17)/t9-,10+/m0/s1
InChIKey
QIDSTUDQCSMSKL-VHSXEESVSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

266.09027 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09755 155.2
[M+Na]+ 289.07949 165.0
[M-H]- 265.08299 159.7
[M+NH4]+ 284.12409 169.1
[M+K]+ 305.05343 163.3
[M+H-H2O]+ 249.08753 147.7
[M+HCOO]- 311.08847 175.1
[M+CH3COO]- 325.10412 192.5
[M+Na-2H]- 287.06494 157.2
[M]+ 266.08972 158.7
[M]- 266.09082 158.7
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.