CID 504139

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

Structural Information

Molecular Formula
C15H22N4O3S3
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CCN(CC2)C
InChI
InChI=1S/C15H22N4O3S3/c1-3-22-13(21)8-11-9-24-14(16-11)17-12(20)10-25-15(23)19-6-4-18(2)5-7-19/h9H,3-8,10H2,1-2H3,(H,16,17,20)
InChIKey
SDXUROPQYXPYBT-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

402.08542 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.09270 187.8
[M+Na]+ 425.07464 192.0
[M-H]- 401.07814 188.4
[M+NH4]+ 420.11924 196.8
[M+K]+ 441.04858 185.7
[M+H-H2O]+ 385.08268 180.7
[M+HCOO]- 447.08362 187.6
[M+CH3COO]- 461.09927 217.4
[M+Na-2H]- 423.06009 182.6
[M]+ 402.08487 188.3
[M]- 402.08597 188.3
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.