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]+ 442.068976 202.8
[M+Na]+ 464.050918 212.5
[M-H]- 440.054424 210.2
[M+NH4]+ 459.095523 215.2
[M+K]+ 480.024858 204.4
[M+H-H2O]+ 424.058960 196.0
[M+HCOO]- 486.059901 211.2
[M+CH3COO]- 500.075551 211.5
[M+Na-2H]- 462.036366 196.0
[M]+ 441.06115142 204.6
[M]- 441.06224858 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.