CID 452224

3'-az-secodu

Structural Information

Molecular Formula
C9H13N5O5
SMILES
C1=CN(C(=O)NC1=O)C(CO)OC(CN=[N+]=[N-])CO
InChI
InChI=1S/C9H13N5O5/c10-13-11-3-6(4-15)19-8(5-16)14-2-1-7(17)12-9(14)18/h1-2,6,8,15-16H,3-5H2,(H,12,17,18)
InChIKey
JVMNAMJKOFUODC-UHFFFAOYSA-N
Compound name
1-[1-(1-azido-3-hydroxypropan-2-yl)oxy-2-hydroxyethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09167 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09895 152.8
[M+Na]+ 294.08089 158.5
[M-H]- 270.08439 152.8
[M+NH4]+ 289.12549 164.1
[M+K]+ 310.05483 151.7
[M+H-H2O]+ 254.08893 148.8
[M+HCOO]- 316.08987 176.5
[M+CH3COO]- 330.10552 191.3
[M+Na-2H]- 292.06634 160.8
[M]+ 271.09112 150.7
[M]- 271.09222 150.7
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.