CID 24842699

Brn 5655030

Structural Information

Molecular Formula
C23H22FN3O2S2
SMILES
C1CCN(CC1)C(=O)C2=CC=C(C=C2)NCN3C(=O)/C(=C\C4=CC=C(C=C4)F)/SC3=S
InChI
InChI=1S/C23H22FN3O2S2/c24-18-8-4-16(5-9-18)14-20-22(29)27(23(30)31-20)15-25-19-10-6-17(7-11-19)21(28)26-12-2-1-3-13-26/h4-11,14,25H,1-3,12-13,15H2/b20-14+
InChIKey
XGDLSYPGHIDFPG-XSFVSMFZSA-N
Compound name
(5E)-5-[(4-fluorophenyl)methylidene]-3-[[4-(piperidine-1-carbonyl)anilino]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.11374 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.12102 205.5
[M+Na]+ 478.10296 210.9
[M-H]- 454.10646 212.8
[M+NH4]+ 473.14756 213.4
[M+K]+ 494.07690 201.7
[M+H-H2O]+ 438.11100 195.6
[M+HCOO]- 500.11194 210.9
[M+CH3COO]- 514.12759 211.8
[M+Na-2H]- 476.08841 198.9
[M]+ 455.11319 200.8
[M]- 455.11429 200.8
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.