CID 477851

1-[(2r,5s)-5-(hydroxymethyl)-5-methyl-2h-furan-2-yl]-5-methyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@@](O2)(C)CO
InChI
InChI=1S/C11H14N2O4/c1-7-5-13(10(16)12-9(7)15)8-3-4-11(2,6-14)17-8/h3-5,8,14H,6H2,1-2H3,(H,12,15,16)/t8-,11+/m1/s1
InChIKey
ARVZUQISYCBJRH-KCJUWKMLSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-5-methyl-2H-furan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

31
Patents

238.09535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 148.1
[M+Na]+ 261.08457 159.0
[M-H]- 237.08807 151.5
[M+NH4]+ 256.12917 164.7
[M+K]+ 277.05851 156.4
[M+H-H2O]+ 221.09261 141.8
[M+HCOO]- 283.09355 167.4
[M+CH3COO]- 297.10920 184.9
[M+Na-2H]- 259.07002 152.5
[M]+ 238.09480 149.7
[M]- 238.09590 149.7
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

patents stripe