CID 3245131

4-amino-3-ethyl-5-(4-morpholinylcarbonyl)-1,3-thiazole-2(3h)-thione

Structural Information

Molecular Formula
C10H15N3O2S2
SMILES
CCN1C(=C(SC1=S)C(=O)N2CCOCC2)N
InChI
InChI=1S/C10H15N3O2S2/c1-2-13-8(11)7(17-10(13)16)9(14)12-3-5-15-6-4-12/h2-6,11H2,1H3
InChIKey
YPIWHELEPHBQIM-UHFFFAOYSA-N
Compound name
(4-amino-3-ethyl-2-sulfanylidene-1,3-thiazol-5-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

273.06058 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06786 158.8
[M+Na]+ 296.04980 166.9
[M-H]- 272.05330 163.0
[M+NH4]+ 291.09440 173.5
[M+K]+ 312.02374 163.0
[M+H-H2O]+ 256.05784 152.3
[M+HCOO]- 318.05878 167.3
[M+CH3COO]- 332.07443 195.2
[M+Na-2H]- 294.03525 155.7
[M]+ 273.06003 158.2
[M]- 273.06113 158.2
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.