CID 83591

13575-60-5

Structural Information

Molecular Formula
C13H26N4OS4
SMILES
CCN(CC)C(=S)SCNC(=O)NCSC(=S)N(CC)CC
InChI
InChI=1S/C13H26N4OS4/c1-5-16(6-2)12(19)21-9-14-11(18)15-10-22-13(20)17(7-3)8-4/h5-10H2,1-4H3,(H2,14,15,18)
InChIKey
SKCIXVXNJSASNY-UHFFFAOYSA-N
Compound name
(diethylcarbamothioylsulfanylmethylcarbamoylamino)methyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

382.09894 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10622 186.2
[M+Na]+ 405.08816 185.4
[M-H]- 381.09166 183.8
[M+NH4]+ 400.13276 196.3
[M+K]+ 421.06210 177.1
[M+H-H2O]+ 365.09620 176.0
[M+HCOO]- 427.09714 183.8
[M+CH3COO]- 441.11279 229.1
[M+Na-2H]- 403.07361 183.1
[M]+ 382.09839 184.7
[M]- 382.09949 184.7
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.