CID 504134

Ethyl [2-({[(1-piperidinylcarbonothioyl)thio]acetyl}amino)-1,3-thiazol-4-yl]acetate

Structural Information

Molecular Formula
C15H21N3O3S3
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CCCCC2
InChI
InChI=1S/C15H21N3O3S3/c1-2-21-13(20)8-11-9-23-14(16-11)17-12(19)10-24-15(22)18-6-4-3-5-7-18/h9H,2-8,10H2,1H3,(H,16,17,19)
InChIKey
BGIWEJFMIYTALE-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[[2-(piperidine-1-carbothioylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.0745 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.08178 186.0
[M+Na]+ 410.06372 189.4
[M-H]- 386.06722 187.5
[M+NH4]+ 405.10832 196.6
[M+K]+ 426.03766 183.3
[M+H-H2O]+ 370.07176 178.9
[M+HCOO]- 432.07270 186.9
[M+CH3COO]- 446.08835 213.6
[M+Na-2H]- 408.04917 181.4
[M]+ 387.07395 185.7
[M]- 387.07505 185.7
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.