CID 3062983

Pseudourea, 2-(2-((2-aminoethyl)amino)ethyl)-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C5H14N4S
SMILES
C(CNCCSC(=N)N)N
InChI
InChI=1S/C5H14N4S/c6-1-2-9-3-4-10-5(7)8/h9H,1-4,6H2,(H3,7,8)
InChIKey
WOJDNWCAVQBJLM-UHFFFAOYSA-N
Compound name
2-(2-aminoethylamino)ethyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.09392 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.10120 132.9
[M+Na]+ 185.08314 137.0
[M-H]- 161.08664 131.8
[M+NH4]+ 180.12774 151.9
[M+K]+ 201.05708 134.5
[M+H-H2O]+ 145.09118 126.0
[M+HCOO]- 207.09212 152.9
[M+CH3COO]- 221.10777 185.9
[M+Na-2H]- 183.06859 135.0
[M]+ 162.09337 128.8
[M]- 162.09447 128.8
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.