CID 126501

Varau

Structural Information

Molecular Formula
C11H14N2O6
SMILES
C=CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H14N2O6/c1-2-5-3-13(11(18)12-9(5)17)10-8(16)7(15)6(4-14)19-10/h2-3,6-8,10,14-16H,1,4H2,(H,12,17,18)/t6-,7-,8+,10-/m1/s1
InChIKey
RHNKTNRPTOLWJS-BDNRQGISSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

121
Patents

270.08517 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09245 159.4
[M+Na]+ 293.07439 169.0
[M+NH4]+ 288.11899 162.4
[M+K]+ 309.04833 169.1
[M-H]- 269.07789 158.3
[M+Na-2H]- 291.05984 159.6
[M]+ 270.08462 159.8
[M]- 270.08572 159.8
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