CID 208593

32532-46-0

Structural Information

Molecular Formula
C11H18N4O2S
SMILES
CCCN=C(NC1=CN(C(=O)N(C1=O)C)C)SC
InChI
InChI=1S/C11H18N4O2S/c1-5-6-12-10(18-4)13-8-7-14(2)11(17)15(3)9(8)16/h7H,5-6H2,1-4H3,(H,12,13)
InChIKey
YNKQMQUZWZHGRN-UHFFFAOYSA-N
Compound name
methyl N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N'-propylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.11505 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12233 160.4
[M+Na]+ 293.10427 170.0
[M-H]- 269.10777 163.6
[M+NH4]+ 288.14887 175.8
[M+K]+ 309.07821 166.3
[M+H-H2O]+ 253.11231 152.4
[M+HCOO]- 315.11325 179.7
[M+CH3COO]- 329.12890 204.2
[M+Na-2H]- 291.08972 161.7
[M]+ 270.11450 165.8
[M]- 270.11560 165.8
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

No patent data available for this compound.