CID 3241709

618076-71-4

Structural Information

Molecular Formula
C12H14N4OS2
SMILES
CCN1C(=C(SC1=S)C(=O)NCC2=CN=CC=C2)N
InChI
InChI=1S/C12H14N4OS2/c1-2-16-10(13)9(19-12(16)18)11(17)15-7-8-4-3-5-14-6-8/h3-6H,2,7,13H2,1H3,(H,15,17)
InChIKey
KXJYRIWHZOWQAU-UHFFFAOYSA-N
Compound name
4-amino-3-ethyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

294.0609 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.06818 163.1
[M+Na]+ 317.05012 172.5
[M-H]- 293.05362 167.4
[M+NH4]+ 312.09472 178.1
[M+K]+ 333.02406 165.7
[M+H-H2O]+ 277.05816 155.7
[M+HCOO]- 339.05910 176.5
[M+CH3COO]- 353.07475 202.8
[M+Na-2H]- 315.03557 162.0
[M]+ 294.06035 164.6
[M]- 294.06145 164.6
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.