CID 6478084

3-[(phenylsulfonyl)amino]-2-thioxo-5-{[4-(trifluoromethylthio)phenyl]methylene}-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H11F3N2O3S4
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC=C(C=C3)SC(F)(F)F)/SC2=S
InChI
InChI=1S/C17H11F3N2O3S4/c18-17(19,20)28-12-8-6-11(7-9-12)10-14-15(23)22(16(26)27-14)21-29(24,25)13-4-2-1-3-5-13/h1-10,21H/b14-10+
InChIKey
SDKSRYNODQFIEX-GXDHUFHOSA-N
Compound name
N-[(5E)-4-oxo-2-sulfanylidene-5-[[4-(trifluoromethylsulfanyl)phenyl]methylidene]-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

475.96045 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.96773 205.9
[M+Na]+ 498.94967 214.2
[M-H]- 474.95317 207.2
[M+NH4]+ 493.99427 213.8
[M+K]+ 514.92361 201.9
[M+H-H2O]+ 458.95771 197.1
[M+HCOO]- 520.95865 202.4
[M+CH3COO]- 534.97430 226.3
[M+Na-2H]- 496.93512 205.6
[M]+ 475.95990 200.7
[M]- 475.96100 200.7
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

No patent data available for this compound.