CID 5940950

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

Structural Information

Molecular Formula
C24H22BrN3O3S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C24H22BrN3O3S2/c1-2-3-6-12-27-23(31)21(33-24(27)32)20-17-10-4-5-11-18(17)28(22(20)30)14-19(29)26-16-9-7-8-15(25)13-16/h4-5,7-11,13H,2-3,6,12,14H2,1H3,(H,26,29)/b21-20-
InChIKey
ZHGKHTZYCZGXAZ-MRCUWXFGSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-2-oxo-3-(4-oxo-3-pentyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)indol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

543.0286 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 544.03588 204.4
[M+Na]+ 566.01782 205.2
[M+NH4]+ 561.06242 206.8
[M+K]+ 581.99176 204.4
[M-H]- 542.02132 206.2
[M+Na-2H]- 564.00327 204.6
[M]+ 543.02805 204.4
[M]- 543.02915 204.4
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.