CID 9576661

Usaf el-8

Structural Information

Molecular Formula
C8H19N5S2
SMILES
CCN(/N=C(/SCC)\N)/N=C(/SCC)\N
InChI
InChI=1S/C8H19N5S2/c1-4-13(11-7(9)14-5-2)12-8(10)15-6-3/h4-6H2,1-3H3,(H2,9,11)(H2,10,12)
InChIKey
ZDSDUICMVRVDDG-UHFFFAOYSA-N
Compound name
ethyl N'-[[(E)-[amino(ethylsulfanyl)methylidene]amino]-ethylamino]carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10818 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11546 156.5
[M+Na]+ 272.09740 159.6
[M+NH4]+ 267.14200 163.0
[M+K]+ 288.07134 152.7
[M-H]- 248.10090 158.2
[M+Na-2H]- 270.08285 157.7
[M]+ 249.10763 157.7
[M]- 249.10873 157.7
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.