CID 312249

O-ethyl 4-(propylsulfamoyl)benzenecarbothioate

Structural Information

Molecular Formula
C12H17NO3S2
SMILES
CCCNS(=O)(=O)C1=CC=C(C=C1)C(=S)OCC
InChI
InChI=1S/C12H17NO3S2/c1-3-9-13-18(14,15)11-7-5-10(6-8-11)12(17)16-4-2/h5-8,13H,3-4,9H2,1-2H3
InChIKey
NRLNGMBSQMIZFZ-UHFFFAOYSA-N
Compound name
O-ethyl 4-(propylsulfamoyl)benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.06497 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07225 163.3
[M+Na]+ 310.05419 169.7
[M-H]- 286.05769 166.1
[M+NH4]+ 305.09879 179.1
[M+K]+ 326.02813 164.6
[M+H-H2O]+ 270.06223 156.5
[M+HCOO]- 332.06317 175.1
[M+CH3COO]- 346.07882 198.8
[M+Na-2H]- 308.03964 164.3
[M]+ 287.06442 167.4
[M]- 287.06552 167.4
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.