CID 484362

1-(4-hydroxymethyl-2,5-dihydro-thiophen-2-yl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H12N2O3S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C(CS2)CO
InChI
InChI=1S/C10H12N2O3S/c1-6-3-12(10(15)11-9(6)14)8-2-7(4-13)5-16-8/h2-3,8,13H,4-5H2,1H3,(H,11,14,15)/t8-/m1/s1
InChIKey
HBMCKEAJMLDEKW-MRVPVSSYSA-N
Compound name
1-[(2R)-4-(hydroxymethyl)-2,5-dihydrothiophen-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

240.05687 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.06415 149.9
[M+Na]+ 263.04609 160.7
[M-H]- 239.04959 152.7
[M+NH4]+ 258.09069 166.5
[M+K]+ 279.02003 155.6
[M+H-H2O]+ 223.05413 143.6
[M+HCOO]- 285.05507 165.3
[M+CH3COO]- 299.07072 183.8
[M+Na-2H]- 261.03154 149.7
[M]+ 240.05632 151.2
[M]- 240.05742 151.2
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.