CID 208130

Uracil, 1,3-dimethyl-5-(isopropylurea)-

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CC(C)NC(=O)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C10H16N4O3/c1-6(2)11-9(16)12-7-5-8(15)14(4)10(17)13(7)3/h5-6H,1-4H3,(H2,11,12,16)
InChIKey
MNLLMEYVSNDMCA-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12224 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 152.4
[M+Na]+ 263.11146 161.7
[M-H]- 239.11496 154.6
[M+NH4]+ 258.15606 167.6
[M+K]+ 279.08540 160.0
[M+H-H2O]+ 223.11950 144.8
[M+HCOO]- 285.12044 175.3
[M+CH3COO]- 299.13609 198.9
[M+Na-2H]- 261.09691 155.5
[M]+ 240.12169 154.5
[M]- 240.12279 154.5
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.