CID 5928827

N-(3-bromophenyl)-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
C21H16BrN3O3S2
SMILES
CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C21H16BrN3O3S2/c1-2-24-20(28)18(30-21(24)29)17-14-8-3-4-9-15(14)25(19(17)27)11-16(26)23-13-7-5-6-12(22)10-13/h3-10H,2,11H2,1H3,(H,23,26)/b18-17-
InChIKey
GASKYVBVVXBWEN-ZCXUNETKSA-N
Compound name
N-(3-bromophenyl)-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

500.98166 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.98894 192.3
[M+Na]+ 523.97088 193.7
[M+NH4]+ 519.01548 195.2
[M+K]+ 539.94482 193.5
[M-H]- 499.97438 194.2
[M+Na-2H]- 521.95633 193.2
[M]+ 500.98111 192.4
[M]- 500.98221 192.4
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.