CID 5930116

(3z)-5-bromo-3-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-propyl-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C21H16BrFN2O2S2
SMILES
CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)/C1=O
InChI
InChI=1S/C21H16BrFN2O2S2/c1-2-9-24-16-8-5-13(22)10-15(16)17(19(24)26)18-20(27)25(21(28)29-18)11-12-3-6-14(23)7-4-12/h3-8,10H,2,9,11H2,1H3/b18-17-
InChIKey
OLWWZXSNXPFEMF-ZCXUNETKSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.98206 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.98934 195.8
[M+Na]+ 512.97128 198.4
[M+NH4]+ 508.01588 199.1
[M+K]+ 528.94522 196.6
[M-H]- 488.97478 197.0
[M+Na-2H]- 510.95673 195.9
[M]+ 489.98151 196.0
[M]- 489.98261 196.0
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.