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

1
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

patents stripe