CID 3048474

Tetrasulfide, bis(piperidinothiocarbamoyl)

Structural Information

Molecular Formula
C12H22N4S6
SMILES
C1CCN(CC1)NC(=S)SSSSC(=S)NN2CCCCC2
InChI
InChI=1S/C12H22N4S6/c17-11(13-15-7-3-1-4-8-15)19-21-22-20-12(18)14-16-9-5-2-6-10-16/h1-10H2,(H,13,17)(H,14,18)
InChIKey
ZJIZEVJHBSSGJP-UHFFFAOYSA-N
Compound name
(piperidin-1-ylcarbamothioyltrisulfanyl) N-piperidin-1-ylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.01688 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.02416 190.2
[M+Na]+ 437.00610 190.6
[M-H]- 413.00960 184.1
[M+NH4]+ 432.05070 194.8
[M+K]+ 452.98004 175.1
[M+H-H2O]+ 397.01414 183.3
[M+HCOO]- 459.01508 171.8
[M+CH3COO]- 473.03073 189.8
[M+Na-2H]- 434.99155 191.7
[M]+ 414.01633 171.8
[M]- 414.01743 171.8
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

patents stripe