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 153.3
[M+Na]+ 272.09740 155.0
[M-H]- 248.10090 152.1
[M+NH4]+ 267.14200 168.7
[M+K]+ 288.07134 151.0
[M+H-H2O]+ 232.10544 144.6
[M+HCOO]- 294.10638 166.1
[M+CH3COO]- 308.12203 207.2
[M+Na-2H]- 270.08285 151.4
[M]+ 249.10763 149.8
[M]- 249.10873 149.8
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.