CID 1273445

476486-10-9

Structural Information

Molecular Formula
C15H19N3OS3
SMILES
CCN(CC)C(=O)CSC1=NN=C(S1)SCC2=CC=CC=C2
InChI
InChI=1S/C15H19N3OS3/c1-3-18(4-2)13(19)11-21-15-17-16-14(22-15)20-10-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3
InChIKey
MQTAFVZKDBAOJW-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N,N-diethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

353.06903 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.07631 176.7
[M+Na]+ 376.05825 184.2
[M-H]- 352.06175 181.0
[M+NH4]+ 371.10285 190.0
[M+K]+ 392.03219 177.6
[M+H-H2O]+ 336.06629 168.9
[M+HCOO]- 398.06723 183.4
[M+CH3COO]- 412.08288 213.5
[M+Na-2H]- 374.04370 174.5
[M]+ 353.06848 181.4
[M]- 353.06958 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.