CID 3003743

5439-71-4

Structural Information

Molecular Formula
C14H24N2S6
SMILES
C1CCC(CC1)NC(=S)SSSSC(=S)NC2CCCCC2
InChI
InChI=1S/C14H24N2S6/c17-13(15-11-7-3-1-4-8-11)19-21-22-20-14(18)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKey
DDLXFZWLZYQSFR-UHFFFAOYSA-N
Compound name
(cyclohexylcarbamothioyltrisulfanyl) N-cyclohexylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.02637 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.03365 196.5
[M+Na]+ 435.01559 195.5
[M-H]- 411.01909 191.9
[M+NH4]+ 430.06019 202.8
[M+K]+ 450.98953 179.9
[M+H-H2O]+ 395.02363 189.0
[M+HCOO]- 457.02457 178.8
[M+CH3COO]- 471.04022 195.9
[M+Na-2H]- 433.00104 197.2
[M]+ 412.02582 177.9
[M]- 412.02692 177.9
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.