CID 5905207

2-[(3z)-3-(3-butyl-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
C23H20FN3O3S2
SMILES
CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S
InChI
InChI=1S/C23H20FN3O3S2/c1-2-3-12-26-22(30)20(32-23(26)31)19-14-8-4-7-11-17(14)27(21(19)29)13-18(28)25-16-10-6-5-9-15(16)24/h4-11H,2-3,12-13H2,1H3,(H,25,28)/b20-19-
InChIKey
NNYLQOSICSEFEU-VXPUYCOJSA-N
Compound name
2-[(3Z)-3-(3-butyl-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

469.09302 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.10030 211.5
[M+Na]+ 492.08224 220.4
[M+NH4]+ 487.12684 216.5
[M+K]+ 508.05618 213.3
[M-H]- 468.08574 213.5
[M+Na-2H]- 490.06769 213.3
[M]+ 469.09247 213.8
[M]- 469.09357 213.8
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.