CID 29243

Tetrahydrouridine

Structural Information

Molecular Formula
C9H16N2O6
SMILES
C1CN(C(=O)NC1O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H16N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4-8,12-15H,1-3H2,(H,10,16)/t4-,5?,6-,7-,8-/m1/s1
InChIKey
UCKYOOZPSJFJIZ-XVKVHKPRSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

149
References

1008
Patents

248.10083 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.10811 155.3
[M+Na]+ 271.09005 161.6
[M+NH4]+ 266.13465 158.7
[M+K]+ 287.06399 163.0
[M-H]- 247.09355 153.5
[M+Na-2H]- 269.07550 153.2
[M]+ 248.10028 154.8
[M]- 248.10138 154.8
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