CID 5942953

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

Structural Information

Molecular Formula
C26H17Cl2N3O3S2
SMILES
C1=CC=C(C(=C1)CN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC=C(C=C5)Cl)/SC2=S)Cl
InChI
InChI=1S/C26H17Cl2N3O3S2/c27-16-9-11-17(12-10-16)29-21(32)14-30-20-8-4-2-6-18(20)22(24(30)33)23-25(34)31(26(35)36-23)13-15-5-1-3-7-19(15)28/h1-12H,13-14H2,(H,29,32)/b23-22-
InChIKey
ZEWNXBMSLHNMLB-FCQUAONHSA-N
Compound name
N-(4-chlorophenyl)-2-[(3Z)-3-[3-[(2-chlorophenyl)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

553.00885 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.01613 231.2
[M+Na]+ 575.99807 241.4
[M-H]- 552.00157 242.5
[M+NH4]+ 571.04267 240.4
[M+K]+ 591.97201 231.9
[M+H-H2O]+ 536.00611 225.3
[M+HCOO]- 598.00705 231.2
[M+CH3COO]- 612.02270 238.3
[M+Na-2H]- 573.98352 223.3
[M]+ 553.00830 236.9
[M]- 553.00940 236.9
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.