CID 2302276

5-benzylidene-3-phenylrhodanine

Structural Information

Molecular Formula
C16H11NOS2
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C3=CC=CC=C3
InChI
InChI=1S/C16H11NOS2/c18-15-14(11-12-7-3-1-4-8-12)20-16(19)17(15)13-9-5-2-6-10-13/h1-11H/b14-11+
InChIKey
TZPSGDWUSVAMNF-SDNWHVSQSA-N
Compound name
(5E)-5-benzylidene-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

297.0282 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.03548 165.0
[M+Na]+ 320.01742 179.0
[M+NH4]+ 315.06202 174.5
[M+K]+ 335.99136 168.2
[M-H]- 296.02092 171.0
[M+Na-2H]- 318.00287 173.1
[M]+ 297.02765 169.7
[M]- 297.02875 169.7
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