CID 3038176

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

Structural Information

Molecular Formula
C10H14N4O2S
SMILES
CN1C(=CC(=O)N(C1=O)C)NC(=S)NCC=C
InChI
InChI=1S/C10H14N4O2S/c1-4-5-11-9(17)12-7-6-8(15)14(3)10(16)13(7)2/h4,6H,1,5H2,2-3H3,(H2,11,12,17)
InChIKey
COLXYRFDWRXBOJ-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.08374 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.09102 155.3
[M+Na]+ 277.07296 165.0
[M-H]- 253.07646 157.2
[M+NH4]+ 272.11756 170.4
[M+K]+ 293.04690 160.1
[M+H-H2O]+ 237.08100 147.8
[M+HCOO]- 299.08194 173.5
[M+CH3COO]- 313.09759 198.6
[M+Na-2H]- 275.05841 156.6
[M]+ 254.08319 157.8
[M]- 254.08429 157.8
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