CID 6184132

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

Structural Information

Molecular Formula
C23H20BrN3O4S2
SMILES
COCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C23H20BrN3O4S2/c1-31-11-5-10-26-22(30)20(33-23(26)32)19-16-8-2-3-9-17(16)27(21(19)29)13-18(28)25-15-7-4-6-14(24)12-15/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,25,28)/b20-19-
InChIKey
LPVHHKDYLWXUKW-VXPUYCOJSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-3-[3-(3-methoxypropyl)-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

545.0079 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.01518 205.7
[M+Na]+ 567.99712 217.0
[M-H]- 544.00062 216.3
[M+NH4]+ 563.04172 218.2
[M+K]+ 583.97106 202.8
[M+H-H2O]+ 528.00516 206.3
[M+HCOO]- 590.00610 213.6
[M+CH3COO]- 604.02175 239.6
[M+Na-2H]- 565.98257 202.3
[M]+ 545.00735 228.3
[M]- 545.00845 228.3
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.