CID 510986

4-amino-1-[(1s,4r,5s)-5-hydroxy-4-(hydroxymethyl)cyclohex-2-en-1-yl]pyrimidin-2-one

Structural Information

Molecular Formula
C11H15N3O3
SMILES
C1[C@@H](C=C[C@@H]([C@H]1O)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C11H15N3O3/c12-10-3-4-14(11(17)13-10)8-2-1-7(6-15)9(16)5-8/h1-4,7-9,15-16H,5-6H2,(H2,12,13,17)/t7-,8-,9+/m1/s1
InChIKey
PWKYSSHFEWIMJL-HLTSFMKQSA-N
Compound name
4-amino-1-[(1S,4R,5S)-5-hydroxy-4-(hydroxymethyl)cyclohex-2-en-1-yl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.11134 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 153.0
[M+Na]+ 260.10056 160.9
[M-H]- 236.10406 154.4
[M+NH4]+ 255.14516 166.3
[M+K]+ 276.07450 156.7
[M+H-H2O]+ 220.10860 144.9
[M+HCOO]- 282.10954 171.0
[M+CH3COO]- 296.12519 189.0
[M+Na-2H]- 258.08601 156.2
[M]+ 237.11079 149.0
[M]- 237.11189 149.0
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

No patent data available for this compound.