CID 5941244

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

Structural Information

Molecular Formula
C21H16ClN3O3S2
SMILES
CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=CC=C4Cl)/SC1=S
InChI
InChI=1S/C21H16ClN3O3S2/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
BHZAZPDAMOTPEU-ZCXUNETKSA-N
Compound name
N-(2-chlorophenyl)-2-[(3Z)-3-(3-ethyl-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

457.03217 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.03945 205.7
[M+Na]+ 480.02139 216.9
[M+NH4]+ 475.06599 212.1
[M+K]+ 495.99533 209.3
[M-H]- 456.02489 209.5
[M+Na-2H]- 478.00684 208.9
[M]+ 457.03162 209.3
[M]- 457.03272 209.3
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.