CID 88299

19893-78-8

Structural Information

Molecular Formula
C7H10N4O3
SMILES
CC(=O)NC1=C(NC(=O)N(C1=O)C)N
InChI
InChI=1S/C7H10N4O3/c1-3(12)9-4-5(8)10-7(14)11(2)6(4)13/h8H2,1-2H3,(H,9,12)(H,10,14)
InChIKey
POQOTWQIYYNXAT-UHFFFAOYSA-N
Compound name
N-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

19
References

111
Patents

198.07529 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.082566 140.1
[M+Na]+ 221.064508 150.4
[M-H]- 197.068014 140.7
[M+NH4]+ 216.109113 155.9
[M+K]+ 237.038448 147.6
[M+H-H2O]+ 181.072550 133.1
[M+HCOO]- 243.073491 162.7
[M+CH3COO]- 257.089141 186.7
[M+Na-2H]- 219.049956 144.2
[M]+ 198.07474142 138.9
[M]- 198.07583858 138.9
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