CID 480031

S-ethyl 4-(dipropylsulfamoyl)benzenecarbothioate

Structural Information

Molecular Formula
C15H23NO3S2
SMILES
CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)SCC
InChI
InChI=1S/C15H23NO3S2/c1-4-11-16(12-5-2)21(18,19)14-9-7-13(8-10-14)15(17)20-6-3/h7-10H,4-6,11-12H2,1-3H3
InChIKey
XDZAEFBOLQPOJF-UHFFFAOYSA-N
Compound name
S-ethyl 4-(dipropylsulfamoyl)benzenecarbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.11194 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11922 175.9
[M+Na]+ 352.10116 181.1
[M-H]- 328.10466 179.7
[M+NH4]+ 347.14576 190.6
[M+K]+ 368.07510 176.9
[M+H-H2O]+ 312.10920 168.4
[M+HCOO]- 374.11014 187.2
[M+CH3COO]- 388.12579 210.9
[M+Na-2H]- 350.08661 175.1
[M]+ 329.11139 182.4
[M]- 329.11249 182.4
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.