CID 208118

31652-50-3

Structural Information

Molecular Formula
C11H18N4O3
SMILES
CCCCNC(=O)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C11H18N4O3/c1-4-5-6-12-10(17)13-8-7-9(16)15(3)11(18)14(8)2/h7H,4-6H2,1-3H3,(H2,12,13,17)
InChIKey
SWIHMYMURMXGDI-UHFFFAOYSA-N
Compound name
1-butyl-3-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 166.0
[M-H]- 253.13062 158.8
[M+NH4]+ 272.17172 171.6
[M+K]+ 293.10106 163.5
[M+H-H2O]+ 237.13516 148.9
[M+HCOO]- 299.13610 180.4
[M+CH3COO]- 313.15175 201.0
[M+Na-2H]- 275.11257 160.7
[M]+ 254.13735 160.0
[M]- 254.13845 160.0
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

patents stripe