CID 16072475

Nsc735180

Structural Information

Molecular Formula
C14H16N2O3S3
SMILES
C1CCN(CC1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C14H16N2O3S3/c17-13-11-6-2-3-7-12(11)22(18,19)16(13)10-21-14(20)15-8-4-1-5-9-15/h2-3,6-7H,1,4-5,8-10H2
InChIKey
OXFAWARCXIPXID-UHFFFAOYSA-N
Compound name
(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl piperidine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.03232 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03960 175.9
[M+Na]+ 379.02154 184.2
[M-H]- 355.02504 178.9
[M+NH4]+ 374.06614 191.4
[M+K]+ 394.99548 177.6
[M+H-H2O]+ 339.02958 171.1
[M+HCOO]- 401.03052 177.3
[M+CH3COO]- 415.04617 184.6
[M+Na-2H]- 377.00699 175.4
[M]+ 356.03177 176.0
[M]- 356.03287 176.0
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.