CID 208589

32532-44-8

Structural Information

Molecular Formula
C11H16N4O2S
SMILES
CN1C=C(C(=O)N(C1=O)C)NC(=NCC=C)SC
InChI
InChI=1S/C11H16N4O2S/c1-5-6-12-10(18-4)13-8-7-14(2)11(17)15(3)9(8)16/h5,7H,1,6H2,2-4H3,(H,12,13)
InChIKey
FCSPJXRSNFLSFU-UHFFFAOYSA-N
Compound name
methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-prop-2-enylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10668 159.4
[M+Na]+ 291.08862 169.2
[M-H]- 267.09212 162.6
[M+NH4]+ 286.13322 174.7
[M+K]+ 307.06256 165.0
[M+H-H2O]+ 251.09666 151.5
[M+HCOO]- 313.09760 178.8
[M+CH3COO]- 327.11325 203.3
[M+Na-2H]- 289.07407 160.7
[M]+ 268.09885 164.1
[M]- 268.09995 164.1
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.