CID 3007912

77181-57-8

Structural Information

Molecular Formula
C12H16N2O7
SMILES
COC(=O)CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H16N2O7/c1-20-10(17)2-6-4-14(12(19)13-11(6)18)9-3-7(16)8(5-15)21-9/h4,7-9,15-16H,2-3,5H2,1H3,(H,13,18,19)/t7-,8+,9+/m0/s1
InChIKey
BQDJFYRWIWJGOZ-DJLDLDEBSA-N
Compound name
methyl 2-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

300.09576 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10304 162.6
[M+Na]+ 323.08498 170.8
[M-H]- 299.08848 164.3
[M+NH4]+ 318.12958 173.6
[M+K]+ 339.05892 169.0
[M+H-H2O]+ 283.09302 155.5
[M+HCOO]- 345.09396 178.3
[M+CH3COO]- 359.10961 194.6
[M+Na-2H]- 321.07043 162.4
[M]+ 300.09521 164.3
[M]- 300.09631 164.3
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.