CID 504130

Akos000865710

Structural Information

Molecular Formula
C14H21N3O3S3
SMILES
CCN(CC)C(=S)SCC(=O)NC1=NC(=CS1)CC(=O)OCC
InChI
InChI=1S/C14H21N3O3S3/c1-4-17(5-2)14(21)23-9-11(18)16-13-15-10(8-22-13)7-12(19)20-6-3/h8H,4-7,9H2,1-3H3,(H,15,16,18)
InChIKey
XCRFFNFETPHZAP-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.0745 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.08178 186.2
[M+Na]+ 398.06372 190.1
[M-H]- 374.06722 187.8
[M+NH4]+ 393.10832 198.9
[M+K]+ 414.03766 184.8
[M+H-H2O]+ 358.07176 178.3
[M+HCOO]- 420.07270 191.4
[M+CH3COO]- 434.08835 219.1
[M+Na-2H]- 396.04917 181.8
[M]+ 375.07395 191.2
[M]- 375.07505 191.2
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.