CID 3007771

Schembl2400220

Structural Information

Molecular Formula
C12H14N2O6
SMILES
CC#COC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C12H14N2O6/c1-2-3-19-8-5-14(12(18)13-11(8)17)10-4-7(16)9(6-15)20-10/h5,7,9-10,15-16H,4,6H2,1H3,(H,13,17,18)/t7-,9+,10+/m0/s1
InChIKey
FDCJNRVRXJSLKH-FXBDTBDDSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynoxypyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

282.08517 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09245 157.1
[M+Na]+ 305.07439 167.5
[M-H]- 281.07789 156.3
[M+NH4]+ 300.11899 167.2
[M+K]+ 321.04833 163.7
[M+H-H2O]+ 265.08243 143.5
[M+HCOO]- 327.08337 168.0
[M+CH3COO]- 341.09902 197.4
[M+Na-2H]- 303.05984 157.0
[M]+ 282.08462 152.1
[M]- 282.08572 152.1
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.