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]+ 232.02091 148.3
[M+Na]+ 254.00285 155.2
[M-H]- 230.00635 150.5
[M+NH4]+ 249.04745 166.6
[M+K]+ 269.97679 151.9
[M+H-H2O]+ 214.01089 141.4
[M+HCOO]- 276.01183 162.4
[M+CH3COO]- 290.02748 187.7
[M+Na-2H]- 251.98830 148.7
[M]+ 231.01308 150.0
[M]- 231.01418 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.