CID 3013092

4-amino-1-[(2r,5s)-5-(hydroxymethyl)-3,5-dimethyl-2h-furan-2-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CC1=C[C@@](O[C@H]1N2C=CC(=NC2=O)N)(C)CO
InChI
InChI=1S/C11H15N3O3/c1-7-5-11(2,6-15)17-9(7)14-4-3-8(12)13-10(14)16/h3-5,9,15H,6H2,1-2H3,(H2,12,13,16)/t9-,11+/m1/s1
InChIKey
OMDSETXNORFUIE-KOLCDFICSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-3,5-dimethyl-2H-furan-2-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.11134 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 150.3
[M+Na]+ 260.10056 160.7
[M-H]- 236.10406 154.6
[M+NH4]+ 255.14516 167.2
[M+K]+ 276.07450 158.5
[M+H-H2O]+ 220.10860 143.5
[M+HCOO]- 282.10954 171.2
[M+CH3COO]- 296.12519 190.3
[M+Na-2H]- 258.08601 154.6
[M]+ 237.11079 151.4
[M]- 237.11189 151.4
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.