CID 504133

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

Structural Information

Molecular Formula
C14H19N3O4S3
SMILES
CCOC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CCOCC2
InChI
InChI=1S/C14H19N3O4S3/c1-2-21-12(19)7-10-8-23-13(15-10)16-11(18)9-24-14(22)17-3-5-20-6-4-17/h8H,2-7,9H2,1H3,(H,15,16,18)
InChIKey
QNVLLDVDLABGFT-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[[2-(morpholine-4-carbothioylsulfanyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.05377 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.06105 185.7
[M+Na]+ 412.04299 189.5
[M-H]- 388.04649 188.1
[M+NH4]+ 407.08759 194.9
[M+K]+ 428.01693 184.9
[M+H-H2O]+ 372.05103 178.9
[M+HCOO]- 434.05197 186.8
[M+CH3COO]- 448.06762 213.0
[M+Na-2H]- 410.02844 182.2
[M]+ 389.05322 186.6
[M]- 389.05432 186.6
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.