CID 373880

126830-80-6

Structural Information

Molecular Formula
C15H21N3OS3
SMILES
C1CCN(CC1)C(=S)SCC(=O)NC2=NC3=C(S2)CCCC3
InChI
InChI=1S/C15H21N3OS3/c19-13(10-21-15(20)18-8-4-1-5-9-18)17-14-16-11-6-2-3-7-12(11)22-14/h1-10H2,(H,16,17,19)
InChIKey
HZICTKBQMOJVKO-UHFFFAOYSA-N
Compound name
[2-oxo-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)ethyl] piperidine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.0847 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.09198 175.0
[M+Na]+ 378.07392 178.9
[M-H]- 354.07742 176.7
[M+NH4]+ 373.11852 188.2
[M+K]+ 394.04786 172.5
[M+H-H2O]+ 338.08196 169.0
[M+HCOO]- 400.08290 174.1
[M+CH3COO]- 414.09855 181.9
[M+Na-2H]- 376.05937 172.7
[M]+ 355.08415 170.5
[M]- 355.08525 170.5
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.