CID 6478138

5-(fluoren-2-ylmethylene)-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C23H16N2O3S3
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)/C=C/4\C(=O)N(C(=S)S4)NS(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C23H16N2O3S3/c26-22-21(30-23(29)25(22)24-31(27,28)18-7-2-1-3-8-18)13-15-10-11-20-17(12-15)14-16-6-4-5-9-19(16)20/h1-13,24H,14H2/b21-13+
InChIKey
GLURFYNHJUPDTJ-FYJGNVAPSA-N
Compound name
N-[(5E)-5-(9H-fluoren-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.03232 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.03960 210.4
[M+Na]+ 487.02154 220.9
[M-H]- 463.02504 219.6
[M+NH4]+ 482.06614 223.8
[M+K]+ 502.99548 211.8
[M+H-H2O]+ 447.02958 206.3
[M+HCOO]- 509.03052 216.3
[M+CH3COO]- 523.04617 218.8
[M+Na-2H]- 485.00699 211.2
[M]+ 464.03177 213.1
[M]- 464.03287 213.1
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

No patent data available for this compound.