CID 5927771

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

Structural Information

Molecular Formula
C26H26ClN3O3S2
SMILES
CCCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Cl)/SC1=S
InChI
InChI=1S/C26H26ClN3O3S2/c1-2-3-4-5-8-14-29-25(33)23(35-26(29)34)22-19-12-6-7-13-20(19)30(24(22)32)16-21(31)28-18-11-9-10-17(27)15-18/h6-7,9-13,15H,2-5,8,14,16H2,1H3,(H,28,31)/b23-22-
InChIKey
JZMHFUHSJSWZSB-FCQUAONHSA-N
Compound name
N-(3-chlorophenyl)-2-[(3Z)-3-(3-heptyl-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

527.1104 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 528.11768 228.2
[M+Na]+ 550.09962 236.0
[M-H]- 526.10312 236.0
[M+NH4]+ 545.14422 238.0
[M+K]+ 566.07356 226.6
[M+H-H2O]+ 510.10766 222.1
[M+HCOO]- 572.10860 231.5
[M+CH3COO]- 586.12425 243.0
[M+Na-2H]- 548.08507 219.4
[M]+ 527.10985 234.2
[M]- 527.11095 234.2
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.