CID 3038173

1-allyl-3-(1,2,3,6-tetrahydro-1,3-dimethyl-6-oxo-2-thioxo-4-pyrimidinyl)-2-thiourea

Structural Information

Molecular Formula
C10H14N4OS2
SMILES
CN1C(=CC(=O)N(C1=S)C)NC(=S)NCC=C
InChI
InChI=1S/C10H14N4OS2/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
BEXRJLODQPFVSK-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-4-yl)-3-prop-2-enylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0609 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06818 156.7
[M+Na]+ 293.05012 166.2
[M-H]- 269.05362 158.0
[M+NH4]+ 288.09472 171.2
[M+K]+ 309.02406 158.8
[M+H-H2O]+ 253.05816 149.4
[M+HCOO]- 315.05910 168.6
[M+CH3COO]- 329.07475 200.9
[M+Na-2H]- 291.03557 156.0
[M]+ 270.06035 158.3
[M]- 270.06145 158.3
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.