CID 3012028

1-[(2r,5s)-5-(aminomethyl)tetrahydrofuran-2-yl]-5-(2-thienyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H15N3O3S
SMILES
C1C[C@@H](O[C@@H]1CN)N2C=C(C(=O)NC2=O)C3=CC=CS3
InChI
InChI=1S/C13H15N3O3S/c14-6-8-3-4-11(19-8)16-7-9(10-2-1-5-20-10)12(17)15-13(16)18/h1-2,5,7-8,11H,3-4,6,14H2,(H,15,17,18)/t8-,11+/m0/s1
InChIKey
FFWZKIHDHZBJBX-GZMMTYOYSA-N
Compound name
1-[(2R,5S)-5-(aminomethyl)oxolan-2-yl]-5-thiophen-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.0834 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09068 164.3
[M+Na]+ 316.07262 173.9
[M-H]- 292.07612 171.9
[M+NH4]+ 311.11722 179.1
[M+K]+ 332.04656 169.8
[M+H-H2O]+ 276.08066 157.6
[M+HCOO]- 338.08160 180.9
[M+CH3COO]- 352.09725 176.1
[M+Na-2H]- 314.05807 162.3
[M]+ 293.08285 164.6
[M]- 293.08395 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.