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

11
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

literature stripe

Patent stripe

patents stripe