CID 373879

126830-78-2

Structural Information

Molecular Formula
C14H21N3OS3
SMILES
CCN(CC)C(=S)SCC(=O)NC1=NC2=C(S1)CCCC2
InChI
InChI=1S/C14H21N3OS3/c1-3-17(4-2)14(19)20-9-12(18)16-13-15-10-7-5-6-8-11(10)21-13/h3-9H2,1-2H3,(H,15,16,18)
InChIKey
AZCCSEDCJWTLGS-UHFFFAOYSA-N
Compound name
[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0847 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09198 174.9
[M+Na]+ 366.07392 179.2
[M-H]- 342.07742 176.7
[M+NH4]+ 361.11852 190.2
[M+K]+ 382.04786 173.7
[M+H-H2O]+ 326.08196 168.5
[M+HCOO]- 388.08290 178.3
[M+CH3COO]- 402.09855 214.1
[M+Na-2H]- 364.05937 173.2
[M]+ 343.08415 175.8
[M]- 343.08525 175.8
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.