CID 5905211

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

Structural Information

Molecular Formula
C21H16FN3O3S2
SMILES
CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S
InChI
InChI=1S/C21H16FN3O3S2/c1-2-24-20(28)18(30-21(24)29)17-12-7-3-6-10-15(12)25(19(17)27)11-16(26)23-14-9-5-4-8-13(14)22/h3-10H,2,11H2,1H3,(H,23,26)/b18-17-
InChIKey
KRRVMLWNMGRTPR-ZCXUNETKSA-N
Compound name
2-[(3Z)-3-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.0617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.06898 202.8
[M+Na]+ 464.05092 212.5
[M-H]- 440.05442 210.2
[M+NH4]+ 459.09552 215.2
[M+K]+ 480.02486 204.4
[M+H-H2O]+ 424.05896 196.0
[M+HCOO]- 486.05990 211.2
[M+CH3COO]- 500.07555 211.5
[M+Na-2H]- 462.03637 196.0
[M]+ 441.06115 204.6
[M]- 441.06225 204.6
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.