CID 208129

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

Structural Information

Molecular Formula
C10H14N4O3
SMILES
CN1C(=CC(=O)N(C1=O)C)NC(=O)NCC=C
InChI
InChI=1S/C10H14N4O3/c1-4-5-11-9(16)12-7-6-8(15)14(3)10(17)13(7)2/h4,6H,1,5H2,2-3H3,(H2,11,12,16)
InChIKey
VCRQYMOTJRUFFN-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-prop-2-enylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.1066 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.113876 151.1
[M+Na]+ 261.095818 160.9
[M-H]- 237.099324 153.2
[M+NH4]+ 256.140423 166.3
[M+K]+ 277.069758 158.0
[M+H-H2O]+ 221.103860 143.4
[M+HCOO]- 283.104801 175.1
[M+CH3COO]- 297.120451 197.1
[M+Na-2H]- 259.081266 155.4
[M]+ 238.10605142 153.1
[M]- 238.10714858 153.1
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.