CID 489898

1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1=CN(C(=O)NC1=O)CC2=CN(N=N2)COCCO
InChI
InChI=1S/C10H13N5O4/c16-3-4-19-7-15-6-8(12-13-15)5-14-2-1-9(17)11-10(14)18/h1-2,6,16H,3-5,7H2,(H,11,17,18)
InChIKey
XMDRGGFKIMRZDO-UHFFFAOYSA-N
Compound name
1-[[1-(2-hydroxyethoxymethyl)triazol-4-yl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.09674 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 157.3
[M+Na]+ 290.085958 167.4
[M-H]- 266.089464 155.7
[M+NH4]+ 285.130563 167.3
[M+K]+ 306.059898 162.9
[M+H-H2O]+ 250.094000 147.4
[M+HCOO]- 312.094941 175.0
[M+CH3COO]- 326.110591 189.8
[M+Na-2H]- 288.071406 161.4
[M]+ 267.09619142 159.8
[M]- 267.09728858 159.8
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.