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]+ 242.113536 154.7
[M+Na]+ 264.095478 162.9
[M-H]- 240.098984 154.0
[M+NH4]+ 259.140083 160.4
[M+K]+ 280.069418 161.9
[M+H-H2O]+ 224.103520 141.5
[M+HCOO]- 286.104461 169.5
[M+CH3COO]- 300.120111 189.7
[M+Na-2H]- 262.080926 156.2
[M]+ 241.10571142 162.6
[M]- 241.10680858 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

literature stripe

Patent stripe

No patent data available for this compound.