CID 394918

Nsc699011

Structural Information

Molecular Formula
C13H21N3O2S3
SMILES
CCN(CC)C(=S)SNCCC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C13H21N3O2S3/c1-3-16(4-2)13(19)20-15-10-9-11-5-7-12(8-6-11)21(14,17)18/h5-8,15H,3-4,9-10H2,1-2H3,(H2,14,17,18)
InChIKey
UKLPMQVFCVWYIA-UHFFFAOYSA-N
Compound name
[2-(4-sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0796 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.08688 177.1
[M+Na]+ 370.06882 180.8
[M-H]- 346.07232 178.6
[M+NH4]+ 365.11342 189.4
[M+K]+ 386.04276 173.2
[M+H-H2O]+ 330.07686 168.6
[M+HCOO]- 392.07780 183.2
[M+CH3COO]- 406.09345 216.3
[M+Na-2H]- 368.05427 177.1
[M]+ 347.07905 177.5
[M]- 347.08015 177.5
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.