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]+ 268.10402 157.3
[M+Na]+ 290.08596 167.4
[M-H]- 266.08946 155.7
[M+NH4]+ 285.13056 167.3
[M+K]+ 306.05990 162.9
[M+H-H2O]+ 250.09400 147.4
[M+HCOO]- 312.09494 175.0
[M+CH3COO]- 326.11059 189.8
[M+Na-2H]- 288.07141 161.4
[M]+ 267.09619 159.8
[M]- 267.09729 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.