CID 11413596

Ethyl n-[(1,3-thiazol-2-yl)carbamothioyl]carbamate

Structural Information

Molecular Formula
C7H9N3O2S2
SMILES
CCOC(=O)NC(=S)NC1=NC=CS1
InChI
InChI=1S/C7H9N3O2S2/c1-2-12-7(11)10-5(13)9-6-8-3-4-14-6/h3-4H,2H2,1H3,(H2,8,9,10,11,13)
InChIKey
SAWXOPRCFFDKPL-UHFFFAOYSA-N
Compound name
ethyl N-(1,3-thiazol-2-ylcarbamothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.01363 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.020906 148.3
[M+Na]+ 254.002848 155.2
[M-H]- 230.006354 150.5
[M+NH4]+ 249.047453 166.6
[M+K]+ 269.976788 151.9
[M+H-H2O]+ 214.010890 141.4
[M+HCOO]- 276.011831 162.4
[M+CH3COO]- 290.027481 187.7
[M+Na-2H]- 251.988296 148.7
[M]+ 231.01308142 150.0
[M]- 231.01417858 150.0
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.