CID 3003709

Chembl64724

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C=C(C1=CN(C(=O)NC1=O)COC(CO)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O5/c1-6(13-14-11)8-2-15(10(19)12-9(8)18)5-20-7(3-16)4-17/h2,7,16-17H,1,3-5H2,(H,12,18,19)
InChIKey
BDNFCYGOLQPLTO-UHFFFAOYSA-N
Compound name
5-(1-azidoethenyl)-1-(1,3-dihydroxypropan-2-yloxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

283.09167 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 156.9
[M+Na]+ 306.08089 163.3
[M-H]- 282.08439 157.1
[M+NH4]+ 301.12549 167.9
[M+K]+ 322.05483 155.7
[M+H-H2O]+ 266.08893 153.1
[M+HCOO]- 328.08987 180.4
[M+CH3COO]- 342.10552 194.7
[M+Na-2H]- 304.06634 163.7
[M]+ 283.09112 154.8
[M]- 283.09222 154.8
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.