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]+ 268.10402 154.7
[M+Na]+ 290.08596 162.2
[M-H]- 266.08946 156.3
[M+NH4]+ 285.13056 167.3
[M+K]+ 306.05990 154.2
[M+H-H2O]+ 250.09400 150.8
[M+HCOO]- 312.09494 180.5
[M+CH3COO]- 326.11059 194.2
[M+Na-2H]- 288.07141 162.9
[M]+ 267.09619 153.8
[M]- 267.09729 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.