CID 6478091

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

Structural Information

Molecular Formula
C16H11FN2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC=CC=C3F)/SC2=S
InChI
InChI=1S/C16H11FN2O3S3/c17-13-9-5-4-6-11(13)10-14-15(20)19(16(23)24-14)18-25(21,22)12-7-2-1-3-8-12/h1-10,18H/b14-10+
InChIKey
KLJROENVNSBZTR-GXDHUFHOSA-N
Compound name
N-[(5E)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.99158 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.99886 188.7
[M+Na]+ 416.98080 198.1
[M-H]- 392.98430 194.7
[M+NH4]+ 412.02540 200.6
[M+K]+ 432.95474 188.2
[M+H-H2O]+ 376.98884 181.3
[M+HCOO]- 438.98978 194.3
[M+CH3COO]- 453.00543 214.2
[M+Na-2H]- 414.96625 187.6
[M]+ 393.99103 187.4
[M]- 393.99213 187.4
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.