CID 3074746

3-(1h-imidazol-1-ylacetyl)-2-(((2-methoxyphenyl)thio)methyl)thiazolidine

Structural Information

Molecular Formula
C16H19N3O2S2
SMILES
COC1=CC=CC=C1SCC2N(CCS2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C16H19N3O2S2/c1-21-13-4-2-3-5-14(13)23-11-16-19(8-9-22-16)15(20)10-18-7-6-17-12-18/h2-7,12,16H,8-11H2,1H3
InChIKey
KJUPHPRDUOUVPK-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-[2-[(2-methoxyphenyl)sulfanylmethyl]-1,3-thiazolidin-3-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.09186 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09914 179.1
[M+Na]+ 372.08108 187.4
[M-H]- 348.08458 185.5
[M+NH4]+ 367.12568 193.0
[M+K]+ 388.05502 182.8
[M+H-H2O]+ 332.08912 171.7
[M+HCOO]- 394.09006 189.2
[M+CH3COO]- 408.10571 189.2
[M+Na-2H]- 370.06653 174.1
[M]+ 349.09131 182.9
[M]- 349.09241 182.9
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.