CID 3063683

Ethylamine, 2-(5-dimethylamino-1,3,4-thiadiazol-2-ylthio)-, dihydrochloride

Structural Information

Molecular Formula
C6H12N4S2
SMILES
CN(C)C1=NN=C(S1)SCCN
InChI
InChI=1S/C6H12N4S2/c1-10(2)5-8-9-6(12-5)11-4-3-7/h3-4,7H2,1-2H3
InChIKey
MGDOILDDSXSUQF-UHFFFAOYSA-N
Compound name
5-(2-aminoethylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.05034 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05762 139.2
[M+Na]+ 227.03956 148.0
[M-H]- 203.04306 141.4
[M+NH4]+ 222.08416 158.4
[M+K]+ 243.01350 145.1
[M+H-H2O]+ 187.04760 132.0
[M+HCOO]- 249.04854 153.6
[M+CH3COO]- 263.06419 189.9
[M+Na-2H]- 225.02501 139.5
[M]+ 204.04979 141.9
[M]- 204.05089 141.9
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.