CID 479298

1-((2s,3s)-2,3-bis-hydroxymethyl-azetidin-1-yl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC1=CN(C(=O)NC1=O)N2C[C@@H]([C@H]2CO)CO
InChI
InChI=1S/C10H15N3O4/c1-6-2-13(10(17)11-9(6)16)12-3-7(4-14)8(12)5-15/h2,7-8,14-15H,3-5H2,1H3,(H,11,16,17)/t7-,8-/m1/s1
InChIKey
LRUYRTYFOWSELK-HTQZYQBOSA-N
Compound name
1-[(2S,3S)-2,3-bis(hydroxymethyl)azetidin-1-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.10626 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 154.7
[M+Na]+ 264.09548 162.9
[M-H]- 240.09898 154.0
[M+NH4]+ 259.14008 160.4
[M+K]+ 280.06942 161.9
[M+H-H2O]+ 224.10352 141.5
[M+HCOO]- 286.10446 169.5
[M+CH3COO]- 300.12011 189.7
[M+Na-2H]- 262.08093 156.2
[M]+ 241.10571 162.6
[M]- 241.10681 162.6
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.