CID 3063376

Pseudourea, 2,2'-((ethylimino)diethylene)bis(2-thio-, trihydrobromide

Structural Information

Molecular Formula
C8H19N5S2
SMILES
CCN(CCSC(=N)N)CCSC(=N)N
InChI
InChI=1S/C8H19N5S2/c1-2-13(3-5-14-7(9)10)4-6-15-8(11)12/h2-6H2,1H3,(H3,9,10)(H3,11,12)
InChIKey
ZANHRMZEMOQXAG-UHFFFAOYSA-N
Compound name
2-[2-carbamimidoylsulfanylethyl(ethyl)amino]ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10818 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11546 154.6
[M+Na]+ 272.09740 156.5
[M+NH4]+ 267.14200 160.3
[M+K]+ 288.07134 150.4
[M-H]- 248.10090 155.2
[M+Na-2H]- 270.08285 154.8
[M]+ 249.10763 155.1
[M]- 249.10873 155.1
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.