CID 469984

4-ethyl-3-[2-(4-ethyl-2-imino-thiazolidin-3-yl)ethyl]thiazolidin-2-imine

Structural Information

Molecular Formula
C12H22N4S2
SMILES
CCC1CSC(=N)N1CCN2C(CSC2=N)CC
InChI
InChI=1S/C12H22N4S2/c1-3-9-7-17-11(13)15(9)5-6-16-10(4-2)8-18-12(16)14/h9-10,13-14H,3-8H2,1-2H3
InChIKey
DFJCOWJJIFJQDQ-UHFFFAOYSA-N
Compound name
4-ethyl-3-[2-(4-ethyl-2-imino-1,3-thiazolidin-3-yl)ethyl]-1,3-thiazolidin-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.1286 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13588 165.7
[M+Na]+ 309.11782 172.5
[M-H]- 285.12132 169.4
[M+NH4]+ 304.16242 183.2
[M+K]+ 325.09176 167.2
[M+H-H2O]+ 269.12586 159.2
[M+HCOO]- 331.12680 175.7
[M+CH3COO]- 345.14245 203.9
[M+Na-2H]- 307.10327 159.8
[M]+ 286.12805 163.7
[M]- 286.12915 163.7
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.