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

51
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

literature stripe

Patent stripe

patents stripe