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 155.4
[M+Na]+ 272.09740 158.2
[M-H]- 248.10090 157.3
[M+NH4]+ 267.14200 172.5
[M+K]+ 288.07134 155.9
[M+H-H2O]+ 232.10544 146.3
[M+HCOO]- 294.10638 171.2
[M+CH3COO]- 308.12203 210.6
[M+Na-2H]- 270.08285 154.1
[M]+ 249.10763 155.5
[M]- 249.10873 155.5
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.