CID 504135

Ethyl 2-[2-[[2-(2-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]thiazol-4-yl]acetate

Structural Information

Molecular Formula
C16H23N3O3S3
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CCCCC2C
InChI
InChI=1S/C16H23N3O3S3/c1-3-22-14(21)8-12-9-24-15(17-12)18-13(20)10-25-16(23)19-7-5-4-6-11(19)2/h9,11H,3-8,10H2,1-2H3,(H,17,18,20)
InChIKey
OJRHIRFORNXFND-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[[2-(2-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.09015 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.09743 189.7
[M+Na]+ 424.07937 193.3
[M-H]- 400.08287 191.3
[M+NH4]+ 419.12397 199.9
[M+K]+ 440.05331 186.9
[M+H-H2O]+ 384.08741 182.7
[M+HCOO]- 446.08835 190.2
[M+CH3COO]- 460.10400 217.5
[M+Na-2H]- 422.06482 184.1
[M]+ 401.08960 190.1
[M]- 401.09070 190.1
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.