CID 117683

4-thiazolidinone, 3-ethyl-5-[(3-ethyl-2(3h)-benzoxazolylidene)ethylidene]-2-thioxo-

Structural Information

Molecular Formula
C16H16N2O2S2
SMILES
CCN1C2=CC=CC=C2OC1=CC=C3C(=O)N(C(=S)S3)CC
InChI
InChI=1S/C16H16N2O2S2/c1-3-17-11-7-5-6-8-12(11)20-14(17)10-9-13-15(19)18(4-2)16(21)22-13/h5-10H,3-4H2,1-2H3
InChIKey
YAORVROFPFPJJU-UHFFFAOYSA-N
Compound name
3-ethyl-5-[2-(3-ethyl-1,3-benzoxazol-2-ylidene)ethylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

33
Patents

332.0653 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.07258 177.5
[M+Na]+ 355.05452 188.5
[M-H]- 331.05802 183.7
[M+NH4]+ 350.09912 194.0
[M+K]+ 371.02846 182.8
[M+H-H2O]+ 315.06256 172.9
[M+HCOO]- 377.06350 186.4
[M+CH3COO]- 391.07915 188.5
[M+Na-2H]- 353.03997 172.0
[M]+ 332.06475 181.0
[M]- 332.06585 181.0
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

patents stripe