CID 208119

31652-51-4

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CCCNC(=O)NC1=CC(=O)N(C(=O)N1C)C
InChI
InChI=1S/C10H16N4O3/c1-4-5-11-9(16)12-7-6-8(15)14(3)10(17)13(7)2/h6H,4-5H2,1-3H3,(H2,11,12,16)
InChIKey
SUYUXFUKPDAORE-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.12224 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.129516 152.4
[M+Na]+ 263.111458 161.9
[M-H]- 239.114964 154.5
[M+NH4]+ 258.156063 167.6
[M+K]+ 279.085398 159.6
[M+H-H2O]+ 223.119500 144.6
[M+HCOO]- 285.120441 176.3
[M+CH3COO]- 299.136091 198.0
[M+Na-2H]- 261.096906 156.7
[M]+ 240.12169142 155.2
[M]- 240.12278858 155.2
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.