CID 5895383

N-(2-fluorophenyl)-2-[(3z)-3-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)-2-oxo-2,3-dihydro-1h-indol-1-yl]acetamide

Structural Information

Molecular Formula
C25H24FN3O3S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S
InChI
InChI=1S/C25H24FN3O3S2/c1-2-3-4-9-14-28-24(32)22(34-25(28)33)21-16-10-5-8-13-19(16)29(23(21)31)15-20(30)27-18-12-7-6-11-17(18)26/h5-8,10-13H,2-4,9,14-15H2,1H3,(H,27,30)/b22-21-
InChIKey
XGQCSUCQXKXJIR-DQRAZIAOSA-N
Compound name
N-(2-fluorophenyl)-2-[(3Z)-3-(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.1243 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.13158 219.4
[M+Na]+ 520.11352 227.8
[M+NH4]+ 515.15812 224.0
[M+K]+ 536.08746 220.4
[M-H]- 496.11702 221.3
[M+Na-2H]- 518.09897 220.8
[M]+ 497.12375 221.6
[M]- 497.12485 221.6
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.