CID 1417818

139564-90-2

Structural Information

Molecular Formula
C16H12N2O2S
SMILES
C1C(=O)N(C(=NC(=O)C2=CC=CC=C2)S1)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O2S/c19-14-11-21-16(18(14)13-9-5-2-6-10-13)17-15(20)12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
UBXWNTMAWNECPE-UHFFFAOYSA-N
Compound name
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

296.06195 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.06923 167.6
[M+Na]+ 319.05117 175.2
[M-H]- 295.05467 177.7
[M+NH4]+ 314.09577 183.8
[M+K]+ 335.02511 170.5
[M+H-H2O]+ 279.05921 159.1
[M+HCOO]- 341.06015 187.0
[M+CH3COO]- 355.07580 179.5
[M+Na-2H]- 317.03662 168.1
[M]+ 296.06140 167.7
[M]- 296.06250 167.7
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.