CID 504141

Ethyl {2-[(2-{[(diethylamino)carbonothioyl]thio}propanoyl)amino]-1,3-thiazol-4-yl}acetate

Structural Information

Molecular Formula
C15H23N3O3S3
SMILES
CCN(CC)C(=S)SC(C)C(=O)NC1=NC(=CS1)CC(=O)OCC
InChI
InChI=1S/C15H23N3O3S3/c1-5-18(6-2)15(22)24-10(4)13(20)17-14-16-11(9-23-14)8-12(19)21-7-3/h9-10H,5-8H2,1-4H3,(H,16,17,20)
InChIKey
IYQVDXLKWLTQMC-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[2-(diethylcarbamothioylsulfanyl)propanoylamino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.09015 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09743 190.3
[M+Na]+ 412.07937 193.3
[M-H]- 388.08287 191.7
[M+NH4]+ 407.12397 202.3
[M+K]+ 428.05331 188.5
[M+H-H2O]+ 372.08741 182.4
[M+HCOO]- 434.08835 194.1
[M+CH3COO]- 448.10400 222.7
[M+Na-2H]- 410.06482 184.8
[M]+ 389.08960 195.1
[M]- 389.09070 195.1
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.