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]+ 241.12952 152.4
[M+Na]+ 263.11146 161.9
[M-H]- 239.11496 154.5
[M+NH4]+ 258.15606 167.6
[M+K]+ 279.08540 159.6
[M+H-H2O]+ 223.11950 144.6
[M+HCOO]- 285.12044 176.3
[M+CH3COO]- 299.13609 198.0
[M+Na-2H]- 261.09691 156.7
[M]+ 240.12169 155.2
[M]- 240.12279 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.