CID 6478113

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

Structural Information

Molecular Formula
C17H11F3N2O4S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=CC=C3)OC(F)(F)F)/SC2=S
InChI
InChI=1S/C17H11F3N2O4S3/c18-17(19,20)26-12-6-4-5-11(9-12)10-14-15(23)22(16(27)28-14)21-29(24,25)13-7-2-1-3-8-13/h1-10,21H/b14-10+
InChIKey
KBWBPFDESWVFRJ-GXDHUFHOSA-N
Compound name
N-[(5E)-4-oxo-2-sulfanylidene-5-[[3-(trifluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.9833 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.99058 201.2
[M+Na]+ 482.97252 209.6
[M-H]- 458.97602 204.2
[M+NH4]+ 478.01712 210.1
[M+K]+ 498.94646 200.1
[M+H-H2O]+ 442.98056 192.0
[M+HCOO]- 504.98150 203.4
[M+CH3COO]- 518.99715 223.8
[M+Na-2H]- 480.95797 200.8
[M]+ 459.98275 199.0
[M]- 459.98385 199.0
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.