CID 64967

362-43-6

Structural Information

Molecular Formula
C12H16N2O6
SMILES
CC1(O[C@@H]2[C@H](O[C@H]([C@@H]2O1)N3C=CC(=O)NC3=O)CO)C
InChI
InChI=1S/C12H16N2O6/c1-12(2)19-8-6(5-15)18-10(9(8)20-12)14-4-3-7(16)13-11(14)17/h3-4,6,8-10,15H,5H2,1-2H3,(H,13,16,17)/t6-,8-,9-,10-/m1/s1
InChIKey
GFDUSNQQMOENLR-PEBGCTIMSA-N
Compound name
1-[(3aR,4R,6R,6aR)-6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

176
Patents

284.10083 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.108106 158.5
[M+Na]+ 307.090048 168.8
[M-H]- 283.093554 163.9
[M+NH4]+ 302.134653 173.2
[M+K]+ 323.063988 168.8
[M+H-H2O]+ 267.098090 153.9
[M+HCOO]- 329.099031 173.4
[M+CH3COO]- 343.114681 193.6
[M+Na-2H]- 305.075496 161.4
[M]+ 284.10028142 162.0
[M]- 284.10137858 162.0
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