CID 16729172

5-(1-azidoallyl)-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C=CC(C1=CN(C(=O)NC1=O)COCCO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O4/c1-2-8(13-14-11)7-5-15(6-19-4-3-16)10(18)12-9(7)17/h2,5,8,16H,1,3-4,6H2,(H,12,17,18)
InChIKey
QGIOXQXGFJCJQE-UHFFFAOYSA-N
Compound name
5-(1-azidoprop-2-enyl)-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.09674 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 154.7
[M+Na]+ 290.085958 162.2
[M-H]- 266.089464 156.3
[M+NH4]+ 285.130563 167.3
[M+K]+ 306.059898 154.2
[M+H-H2O]+ 250.094000 150.8
[M+HCOO]- 312.094941 180.5
[M+CH3COO]- 326.110591 194.2
[M+Na-2H]- 288.071406 162.9
[M]+ 267.09619142 153.8
[M]- 267.09728858 153.8
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.