CID 5776807

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

Structural Information

Molecular Formula
C23H20FN3O3S2
SMILES
CC(C)CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F)/SC1=S
InChI
InChI=1S/C23H20FN3O3S2/c1-13(2)11-27-22(30)20(32-23(27)31)19-14-7-3-6-10-17(14)26(21(19)29)12-18(28)25-16-9-5-4-8-15(16)24/h3-10,13H,11-12H2,1-2H3,(H,25,28)/b20-19-
InChIKey
YBLADPKQZOZZRI-VXPUYCOJSA-N
Compound name
N-(2-fluorophenyl)-2-[(3Z)-3-[3-(2-methylpropyl)-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

469.09302 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.10030 210.5
[M+Na]+ 492.08224 218.7
[M-H]- 468.08574 217.5
[M+NH4]+ 487.12684 221.5
[M+K]+ 508.05618 210.9
[M+H-H2O]+ 452.09028 203.6
[M+HCOO]- 514.09122 217.1
[M+CH3COO]- 528.10687 234.8
[M+Na-2H]- 490.06769 202.2
[M]+ 469.09247 212.4
[M]- 469.09357 212.4
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.