CID 208595

32532-47-1

Structural Information

Molecular Formula
C12H18N4O2S
SMILES
CC(=C)CN=C(NC1=CN(C(=O)N(C1=O)C)C)SC
InChI
InChI=1S/C12H18N4O2S/c1-8(2)6-13-11(19-5)14-9-7-15(3)12(18)16(4)10(9)17/h7H,1,6H2,2-5H3,(H,13,14)
InChIKey
AUBROXKIJQOBOZ-UHFFFAOYSA-N
Compound name
methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-(2-methylprop-2-enyl)carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11505 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12233 163.7
[M+Na]+ 305.10427 172.8
[M-H]- 281.10777 166.9
[M+NH4]+ 300.14887 178.4
[M+K]+ 321.07821 168.9
[M+H-H2O]+ 265.11231 155.7
[M+HCOO]- 327.11325 181.8
[M+CH3COO]- 341.12890 207.2
[M+Na-2H]- 303.08972 163.5
[M]+ 282.11450 168.2
[M]- 282.11560 168.2
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.