CID 225670

N1,n1,n4,n4-tetracyclohexyl-1,4-tetrasulfanedicarbothioamide

Structural Information

Molecular Formula
C26H44N2S6
SMILES
C1CCC(CC1)N(C2CCCCC2)C(=S)SSSSC(=S)N(C3CCCCC3)C4CCCCC4
InChI
InChI=1S/C26H44N2S6/c29-25(27(21-13-5-1-6-14-21)22-15-7-2-8-16-22)31-33-34-32-26(30)28(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h21-24H,1-20H2
InChIKey
CFCSZRWYTVAIJR-UHFFFAOYSA-N
Compound name
(dicyclohexylcarbamothioyltrisulfanyl) N,N-dicyclohexylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

576.18286 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 577.19014 228.9
[M+Na]+ 599.17208 222.1
[M-H]- 575.17558 227.7
[M+NH4]+ 594.21668 230.3
[M+K]+ 615.14602 209.4
[M+H-H2O]+ 559.18012 221.4
[M+HCOO]- 621.18106 207.0
[M+CH3COO]- 635.19671 224.7
[M+Na-2H]- 597.15753 228.9
[M]+ 576.18231 207.1
[M]- 576.18341 207.1
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.