CID 6479134

86163-17-9

Structural Information

Molecular Formula
C13H16N2O7
SMILES
COC(=O)/C=C/C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C13H16N2O7/c1-21-11(18)3-2-7-5-15(13(20)14-12(7)19)10-4-8(17)9(6-16)22-10/h2-3,5,8-10,16-17H,4,6H2,1H3,(H,14,19,20)/b3-2+/t8-,9+,10+/m0/s1
InChIKey
RKTRMSPWWLPPAY-YJCWOPNRSA-N
Compound name
methyl (E)-3-[1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

312.09576 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.10304 166.4
[M+Na]+ 335.08498 174.5
[M-H]- 311.08848 167.9
[M+NH4]+ 330.12958 176.8
[M+K]+ 351.05892 171.8
[M+H-H2O]+ 295.09302 159.1
[M+HCOO]- 357.09396 181.9
[M+CH3COO]- 371.10961 196.2
[M+Na-2H]- 333.07043 165.6
[M]+ 312.09521 167.6
[M]- 312.09631 167.6
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.