CID 452409

3'-hydroxymethyl ara-t

Structural Information

Molecular Formula
C11H16N2O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)O
InChI
InChI=1S/C11H16N2O6/c1-5-2-13(11(18)12-9(5)17)10-8(16)6(3-14)7(4-15)19-10/h2,6-8,10,14-16H,3-4H2,1H3,(H,12,17,18)/t6-,7-,8+,10-/m1/s1
InChIKey
SAQLIIXINWYWJX-BDNRQGISSA-N
Compound name
1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.10083 Da
Monoisotopic Mass

-1.7
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

No patent data available for this compound.