CID 5836324

N-(3-bromophenyl)-2-[(3z)-3-(3-octyl-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
CCCCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C27H28BrN3O3S2/c1-2-3-4-5-6-9-15-30-26(34)24(36-27(30)35)23-20-13-7-8-14-21(20)31(25(23)33)17-22(32)29-19-12-10-11-18(28)16-19/h7-8,10-14,16H,2-6,9,15,17H2,1H3,(H,29,32)/b24-23-
InChIKey
FLUTULYPFOAKRK-VHXPQNKSSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-3-(3-octyl-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

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.08284 216.5
[M+Na]+ 608.06478 216.7
[M+NH4]+ 603.10938 218.3
[M+K]+ 624.03872 215.2
[M-H]- 584.06828 218.1
[M+Na-2H]- 606.05023 216.0
[M]+ 585.07501 216.3
[M]- 585.07611 216.3
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.