CID 208131

31683-79-1

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CC(C)CNC(=O)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C11H18N4O3/c1-7(2)6-12-10(17)13-8-5-9(16)15(4)11(18)14(8)3/h5,7H,6H2,1-4H3,(H2,12,13,17)
InChIKey
AJDSVCRGBMXKMF-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1379 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14518 156.9
[M+Na]+ 277.12712 165.8
[M-H]- 253.13062 159.0
[M+NH4]+ 272.17172 171.5
[M+K]+ 293.10106 163.8
[M+H-H2O]+ 237.13516 149.2
[M+HCOO]- 299.13610 179.5
[M+CH3COO]- 313.15175 201.9
[M+Na-2H]- 275.11257 159.6
[M]+ 254.13735 159.4
[M]- 254.13845 159.4
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.