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]+ 498.131576 218.5
[M+Na]+ 520.113518 226.3
[M-H]- 496.117024 225.0
[M+NH4]+ 515.158123 228.5
[M+K]+ 536.087458 217.4
[M+H-H2O]+ 480.121560 211.0
[M+HCOO]- 542.122501 225.5
[M+CH3COO]- 556.138151 239.5
[M+Na-2H]- 518.098966 210.1
[M]+ 497.12375142 221.4
[M]- 497.12484858 221.4
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.