CID 16729173

5-(1-azidoallyl)-1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H15N5O5
SMILES
C=CC(C1=CN(C(=O)NC1=O)COC(CO)CO)N=[N+]=[N-]
InChI
InChI=1S/C11H15N5O5/c1-2-9(14-15-12)8-3-16(11(20)13-10(8)19)6-21-7(4-17)5-18/h2-3,7,9,17-18H,1,4-6H2,(H,13,19,20)
InChIKey
VEHZHPBDIOGQSY-UHFFFAOYSA-N
Compound name
5-(1-azidoprop-2-enyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.10733 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 161.4
[M+Na]+ 320.09655 167.4
[M-H]- 296.10005 161.5
[M+NH4]+ 315.14115 171.9
[M+K]+ 336.07049 159.6
[M+H-H2O]+ 280.10459 157.4
[M+HCOO]- 342.10553 184.6
[M+CH3COO]- 356.12118 197.7
[M+Na-2H]- 318.08200 167.7
[M]+ 297.10678 159.7
[M]- 297.10788 159.7
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.