CID 6478141

(5e)-3-(benzylamino)-2-thioxo-5-[(2,4,5-trifluorophenyl)methylene]thiazolidin-4-one

Structural Information

Molecular Formula
C17H11F3N2OS2
SMILES
C1=CC=C(C=C1)CNN2C(=O)/C(=C\C3=CC(=C(C=C3F)F)F)/SC2=S
InChI
InChI=1S/C17H11F3N2OS2/c18-12-8-14(20)13(19)6-11(12)7-15-16(23)22(17(24)25-15)21-9-10-4-2-1-3-5-10/h1-8,21H,9H2/b15-7+
InChIKey
WCQSCVSCRCMVMB-VIZOYTHASA-N
Compound name
(5E)-3-(benzylamino)-2-sulfanylidene-5-[(2,4,5-trifluorophenyl)methylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0265 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.03378 180.0
[M+Na]+ 403.01572 190.7
[M-H]- 379.01922 184.9
[M+NH4]+ 398.06032 193.4
[M+K]+ 418.98966 181.0
[M+H-H2O]+ 363.02376 170.1
[M+HCOO]- 425.02470 189.6
[M+CH3COO]- 439.04035 189.6
[M+Na-2H]- 401.00117 175.0
[M]+ 380.02595 177.7
[M]- 380.02705 177.7
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.