CID 473649

1-[4,5-bis(hydroxymethyl)tetrahydropyran-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H18N2O5
SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(CO2)CO)CO
InChI
InChI=1S/C12H18N2O5/c1-7-3-14(12(18)13-11(7)17)10-2-8(4-15)9(5-16)6-19-10/h3,8-10,15-16H,2,4-6H2,1H3,(H,13,17,18)
InChIKey
LTIWGNITVYFVHO-UHFFFAOYSA-N
Compound name
1-[4,5-bis(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12158 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12886 160.9
[M+Na]+ 293.11080 168.8
[M-H]- 269.11430 161.9
[M+NH4]+ 288.15540 171.5
[M+K]+ 309.08474 165.7
[M+H-H2O]+ 253.11884 152.9
[M+HCOO]- 315.11978 174.7
[M+CH3COO]- 329.13543 190.9
[M+Na-2H]- 291.09625 162.7
[M]+ 270.12103 158.9
[M]- 270.12213 158.9
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.