CID 23519675

66723-28-2

Structural Information

Molecular Formula
C12H16N2O6
SMILES
C=CC[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O)CO
InChI
InChI=1S/C12H16N2O6/c1-2-4-12(6-15)9(18)8(17)10(20-12)14-5-3-7(16)13-11(14)19/h2-3,5,8-10,15,17-18H,1,4,6H2,(H,13,16,19)/t8-,9+,10-,12-/m1/s1
InChIKey
NWNCURZHPMUJOS-DTHBNOIPSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

284.10083 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10811 159.7
[M+Na]+ 307.09005 168.9
[M-H]- 283.09355 160.2
[M+NH4]+ 302.13465 172.9
[M+K]+ 323.06399 165.4
[M+H-H2O]+ 267.09809 153.8
[M+HCOO]- 329.09903 174.6
[M+CH3COO]- 343.11468 189.3
[M+Na-2H]- 305.07550 161.5
[M]+ 284.10028 159.3
[M]- 284.10138 159.3
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