CID 16072462

(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 3-methylpiperidine-1-carbodithioate

Structural Information

Molecular Formula
C15H18N2O3S3
SMILES
CC1CCCN(C1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C15H18N2O3S3/c1-11-5-4-8-16(9-11)15(21)22-10-17-14(18)12-6-2-3-7-13(12)23(17,19)20/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKey
AKRXTSNTGQZILZ-UHFFFAOYSA-N
Compound name
(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl 3-methylpiperidine-1-carbodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

370.04794 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.05522 179.1
[M+Na]+ 393.03716 187.6
[M-H]- 369.04066 182.1
[M+NH4]+ 388.08176 194.2
[M+K]+ 409.01110 180.7
[M+H-H2O]+ 353.04520 174.4
[M+HCOO]- 415.04614 180.0
[M+CH3COO]- 429.06179 187.7
[M+Na-2H]- 391.02261 177.7
[M]+ 370.04739 179.9
[M]- 370.04849 179.9
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.