CID 3064890

105975-05-1

Structural Information

Molecular Formula
C11H24N4S2
SMILES
CCN(CC)C(=N)SCSC(=N)N(CC)CC
InChI
InChI=1S/C11H24N4S2/c1-5-14(6-2)10(12)16-9-17-11(13)15(7-3)8-4/h12-13H,5-9H2,1-4H3
InChIKey
JIBUJVUZUSGATQ-UHFFFAOYSA-N
Compound name
(N,N-diethylcarbamimidoyl)sulfanylmethyl N,N-diethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.14423 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15151 166.1
[M+Na]+ 299.13345 167.8
[M-H]- 275.13695 167.4
[M+NH4]+ 294.17805 182.4
[M+K]+ 315.10739 165.3
[M+H-H2O]+ 259.14149 157.5
[M+HCOO]- 321.14243 178.9
[M+CH3COO]- 335.15808 214.0
[M+Na-2H]- 297.11890 163.4
[M]+ 276.14368 167.8
[M]- 276.14478 167.8
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

No patent data available for this compound.