CID 6247497

N-(2-chlorophenyl)-2-{(3z)-3-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1h-indol-1-yl}acetamide

Structural Information

Molecular Formula
C26H17ClFN3O3S2
SMILES
C1=CC=C2C(=C1)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)/C(=O)N2CC(=O)NC5=CC=CC=C5Cl
InChI
InChI=1S/C26H17ClFN3O3S2/c27-18-6-2-3-7-19(18)29-21(32)14-30-20-8-4-1-5-17(20)22(24(30)33)23-25(34)31(26(35)36-23)13-15-9-11-16(28)12-10-15/h1-12H,13-14H2,(H,29,32)/b23-22-
InChIKey
MNDGEHYNMYYLAW-FCQUAONHSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-3-[3-[(4-fluorophenyl)methyl]-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

537.0384 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.04568 222.7
[M+Na]+ 560.02762 235.0
[M+NH4]+ 555.07222 228.6
[M+K]+ 576.00156 226.3
[M-H]- 536.03112 227.6
[M+Na-2H]- 558.01307 227.8
[M]+ 537.03785 226.8
[M]- 537.03895 226.8
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.