CID 379357

Nsc663903

Structural Information

Molecular Formula
C9H13N3O4
SMILES
CC1=CN(C(=O)NC1=O)CC(=O)NCCO
InChI
InChI=1S/C9H13N3O4/c1-6-4-12(9(16)11-8(6)15)5-7(14)10-2-3-13/h4,13H,2-3,5H2,1H3,(H,10,14)(H,11,15,16)
InChIKey
KXUSYBOCVCUPPF-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0906 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.09788 147.2
[M+Na]+ 250.07982 156.0
[M-H]- 226.08332 146.2
[M+NH4]+ 245.12442 161.4
[M+K]+ 266.05376 152.8
[M+H-H2O]+ 210.08786 140.0
[M+HCOO]- 272.08880 167.6
[M+CH3COO]- 286.10445 186.5
[M+Na-2H]- 248.06527 151.4
[M]+ 227.09005 147.7
[M]- 227.09115 147.7
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.