CID 3003708

Chembl62462

Structural Information

Molecular Formula
C9H11N5O4
SMILES
C=C(C1=CN(C(=O)NC1=O)COCCO)N=[N+]=[N-]
InChI
InChI=1S/C9H11N5O4/c1-6(12-13-10)7-4-14(5-18-3-2-15)9(17)11-8(7)16/h4,15H,1-3,5H2,(H,11,16,17)
InChIKey
QSJVQCKXJLMNEB-UHFFFAOYSA-N
Compound name
5-(1-azidoethenyl)-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

253.0811 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08838 150.2
[M+Na]+ 276.07032 158.0
[M-H]- 252.07382 151.9
[M+NH4]+ 271.11492 163.3
[M+K]+ 292.04426 150.3
[M+H-H2O]+ 236.07836 146.4
[M+HCOO]- 298.07930 176.3
[M+CH3COO]- 312.09495 191.1
[M+Na-2H]- 274.05577 158.8
[M]+ 253.08055 148.9
[M]- 253.08165 148.9
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

patents stripe