CID 5941359

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

Structural Information

Molecular Formula
C20H14ClN3O3S2
SMILES
CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S
InChI
InChI=1S/C20H14ClN3O3S2/c1-23-19(27)17(29-20(23)28)16-11-6-2-5-9-14(11)24(18(16)26)10-15(25)22-13-8-4-3-7-12(13)21/h2-9H,10H2,1H3,(H,22,25)/b17-16-
InChIKey
WIWYHHJWUMZOIT-MSUUIHNZSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-3-(3-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

443.0165 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.02378 201.7
[M+Na]+ 466.00572 213.1
[M+NH4]+ 461.05032 208.3
[M+K]+ 481.97966 205.7
[M-H]- 442.00922 205.5
[M+Na-2H]- 463.99117 205.1
[M]+ 443.01595 205.3
[M]- 443.01705 205.3
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.