CID 3000713

N,n'-diacetylthiourea

Structural Information

Molecular Formula
C5H8N2O2S
SMILES
CC(=O)NC(=S)NC(=O)C
InChI
InChI=1S/C5H8N2O2S/c1-3(8)6-5(10)7-4(2)9/h1-2H3,(H2,6,7,8,9,10)
InChIKey
GJHHTDAIMPUSJU-UHFFFAOYSA-N
Compound name
N-(acetylcarbamothioyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

160.03065 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.03793 133.6
[M+Na]+ 183.01987 139.6
[M-H]- 159.02337 134.2
[M+NH4]+ 178.06447 154.0
[M+K]+ 198.99381 138.7
[M+H-H2O]+ 143.02791 128.0
[M+HCOO]- 205.02885 151.9
[M+CH3COO]- 219.04450 178.8
[M+Na-2H]- 181.00532 134.6
[M]+ 160.03010 133.2
[M]- 160.03120 133.2
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.