CID 1504157

Ethyl [(1,3,4-thiadiazol-2-ylamino)thioxomethyl]carbamate

Structural Information

Molecular Formula
C6H8N4O2S2
SMILES
CCOC(=O)NC(=S)NC1=NN=CS1
InChI
InChI=1S/C6H8N4O2S2/c1-2-12-6(11)9-4(13)8-5-10-7-3-14-5/h3H,2H2,1H3,(H2,8,9,10,11,13)
InChIKey
ICOMLLLKPYLHJL-UHFFFAOYSA-N
Compound name
ethyl N-(1,3,4-thiadiazol-2-ylcarbamothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

232.00887 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01615 146.8
[M+Na]+ 254.99809 154.3
[M-H]- 231.00159 148.0
[M+NH4]+ 250.04269 163.9
[M+K]+ 270.97203 151.1
[M+H-H2O]+ 215.00613 139.6
[M+HCOO]- 277.00707 160.2
[M+CH3COO]- 291.02272 187.4
[M+Na-2H]- 252.98354 147.7
[M]+ 232.00832 148.7
[M]- 232.00942 148.7
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

patents stripe