CID 108214

5-acetylamino-6-formylamino-3-methyluracil

Structural Information

Molecular Formula
C8H10N4O4
SMILES
CC(=O)NC1=C(NC(=O)N(C1=O)C)NC=O
InChI
InChI=1S/C8H10N4O4/c1-4(14)10-5-6(9-3-13)11-8(16)12(2)7(5)15/h3H,1-2H3,(H,9,13)(H,10,14)(H,11,16)
InChIKey
RDZNZFGKEVDNPK-UHFFFAOYSA-N
Compound name
N-(6-formamido-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

60
References

170
Patents

226.0702 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07748 145.0
[M+Na]+ 249.05942 155.0
[M-H]- 225.06292 146.0
[M+NH4]+ 244.10402 159.7
[M+K]+ 265.03336 152.2
[M+H-H2O]+ 209.06746 137.6
[M+HCOO]- 271.06840 168.3
[M+CH3COO]- 285.08405 191.8
[M+Na-2H]- 247.04487 149.9
[M]+ 226.06965 145.9
[M]- 226.07075 145.9
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