CID 6185424

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

Structural Information

Molecular Formula
C27H28BrN3O3S2
SMILES
CCCCC(CC)CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C27H28BrN3O3S2/c1-3-5-9-17(4-2)15-31-26(34)24(36-27(31)35)23-20-12-6-7-13-21(20)30(25(23)33)16-22(32)29-19-11-8-10-18(28)14-19/h6-8,10-14,17H,3-5,9,15-16H2,1-2H3,(H,29,32)/b24-23-
InChIKey
NDAQVIPWBDQRSY-VHXPQNKSSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-3-[3-(2-ethylhexyl)-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

585.07556 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.08284 219.0
[M+Na]+ 608.06478 228.5
[M-H]- 584.06828 228.9
[M+NH4]+ 603.10938 229.9
[M+K]+ 624.03872 213.5
[M+H-H2O]+ 568.07282 219.1
[M+HCOO]- 630.07376 224.3
[M+CH3COO]- 644.08941 248.8
[M+Na-2H]- 606.05023 212.8
[M]+ 585.07501 240.9
[M]- 585.07611 240.9
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.