CID 153103

1-(beta-d-arabinofuranosyl)-5-ethyluracil

Structural Information

Molecular Formula
C11H16N2O6
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C11H16N2O6/c1-2-5-3-13(11(18)12-9(5)17)10-8(16)7(15)6(4-14)19-10/h3,6-8,10,14-16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8+,10-/m1/s1
InChIKey
LNVBVDVUTCPLIZ-BDNRQGISSA-N
Compound name
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

26
Patents

272.10083 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10811 158.2
[M+Na]+ 295.09005 167.5
[M-H]- 271.09355 158.9
[M+NH4]+ 290.13465 170.1
[M+K]+ 311.06399 164.4
[M+H-H2O]+ 255.09809 151.6
[M+HCOO]- 317.09903 173.2
[M+CH3COO]- 331.11468 188.8
[M+Na-2H]- 293.07550 158.1
[M]+ 272.10028 158.1
[M]- 272.10138 158.1
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