CID 117685

25962-16-7

Structural Information

Molecular Formula
C18H14N2O2S2
SMILES
CCN1C2=CC=CC=C2OC1=C3C(=O)N(C(=S)S3)C4=CC=CC=C4
InChI
InChI=1S/C18H14N2O2S2/c1-2-19-13-10-6-7-11-14(13)22-17(19)15-16(21)20(18(23)24-15)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey
NZXOOVIFUOKSNY-UHFFFAOYSA-N
Compound name
5-(3-ethyl-1,3-benzoxazol-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

354.04968 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.05696 179.9
[M+Na]+ 377.03890 193.0
[M+NH4]+ 372.08350 188.4
[M+K]+ 393.01284 185.2
[M-H]- 353.04240 186.0
[M+Na-2H]- 375.02435 184.4
[M]+ 354.04913 184.4
[M]- 354.05023 184.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe