CID 5910175

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

Structural Information

Molecular Formula
C24H22ClN3O4S2
SMILES
CCOCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)Cl)/SC1=S
InChI
InChI=1S/C24H22ClN3O4S2/c1-2-32-13-5-12-27-23(31)21(34-24(27)33)20-17-6-3-4-7-18(17)28(22(20)30)14-19(29)26-16-10-8-15(25)9-11-16/h3-4,6-11H,2,5,12-14H2,1H3,(H,26,29)/b21-20-
InChIKey
IGFPBEIVNFLOGB-MRCUWXFGSA-N
Compound name
N-(4-chlorophenyl)-2-[(3Z)-3-[3-(3-ethoxypropyl)-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

515.07404 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 516.08132 222.8
[M+Na]+ 538.06326 231.1
[M-H]- 514.06676 231.0
[M+NH4]+ 533.10786 232.9
[M+K]+ 554.03720 222.8
[M+H-H2O]+ 498.07130 217.0
[M+HCOO]- 560.07224 226.9
[M+CH3COO]- 574.08789 239.6
[M+Na-2H]- 536.04871 215.4
[M]+ 515.07349 229.6
[M]- 515.07459 229.6
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.