CID 45199

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

Structural Information

Molecular Formula
C7H17N5S2
SMILES
CN(CCSC(=N)N)CCSC(=N)N
InChI
InChI=1S/C7H17N5S2/c1-12(2-4-13-6(8)9)3-5-14-7(10)11/h2-5H2,1H3,(H3,8,9)(H3,10,11)
InChIKey
AENVUEWPGMZQBK-UHFFFAOYSA-N
Compound name
2-[2-carbamimidoylsulfanylethyl(methyl)amino]ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.09254 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.09982 149.3
[M+Na]+ 258.08176 151.5
[M-H]- 234.08526 148.4
[M+NH4]+ 253.12636 165.3
[M+K]+ 274.05570 147.7
[M+H-H2O]+ 218.08980 140.8
[M+HCOO]- 280.09074 162.5
[M+CH3COO]- 294.10639 204.3
[M+Na-2H]- 256.06721 147.8
[M]+ 235.09199 145.5
[M]- 235.09309 145.5
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.