CID 3035161

Einecs 247-376-4

Structural Information

Molecular Formula
C18H14N2O2S2
SMILES
CCN\1C2=CC=CC=C2O/C1=C/3\C(=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/b17-15+
InChIKey
NZXOOVIFUOKSNY-BMRADRMJSA-N
Compound name
(5E)-5-(3-ethyl-1,3-benzoxazol-2-ylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

78
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 181.7
[M+Na]+ 377.03890 193.3
[M-H]- 353.04240 191.4
[M+NH4]+ 372.08350 197.1
[M+K]+ 393.01284 187.4
[M+H-H2O]+ 337.04694 176.5
[M+HCOO]- 399.04788 191.7
[M+CH3COO]- 413.06353 193.0
[M+Na-2H]- 375.02435 177.4
[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