CID 41408

Tri(beta-isothioureido-s-ethyl)amine tetrahydrochloride

Structural Information

Molecular Formula
C9H21N7S3
SMILES
C(CSC(=N)N)N(CCSC(=N)N)CCSC(=N)N
InChI
InChI=1S/C9H21N7S3/c10-7(11)17-4-1-16(2-5-18-8(12)13)3-6-19-9(14)15/h1-6H2,(H3,10,11)(H3,12,13)(H3,14,15)
InChIKey
GGDUORJVTMUGNU-UHFFFAOYSA-N
Compound name
2-[bis(2-carbamimidoylsulfanylethyl)amino]ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

349
Patents

323.10205 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10933 162.8
[M+Na]+ 346.09127 160.7
[M+NH4]+ 341.13587 166.8
[M+K]+ 362.06521 155.3
[M-H]- 322.09477 163.0
[M+Na-2H]- 344.07672 161.9
[M]+ 323.10150 162.7
[M]- 323.10260 162.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.