CID 5790908

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

Structural Information

Molecular Formula
C27H20BrN3O3S2
SMILES
C1=CC=C(C=C1)CCN2C(=O)/C(=C/3\C4=CC=CC=C4N(C3=O)CC(=O)NC5=CC(=CC=C5)Br)/SC2=S
InChI
InChI=1S/C27H20BrN3O3S2/c28-18-9-6-10-19(15-18)29-22(32)16-31-21-12-5-4-11-20(21)23(25(31)33)24-26(34)30(27(35)36-24)14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,29,32)/b24-23-
InChIKey
AIEMEXYJOPLPDR-VHXPQNKSSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-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

577.01294 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.02022 215.7
[M+Na]+ 600.00216 226.9
[M-H]- 576.00566 229.0
[M+NH4]+ 595.04676 226.5
[M+K]+ 615.97610 212.0
[M+H-H2O]+ 560.01020 215.9
[M+HCOO]- 622.01114 223.6
[M+CH3COO]- 636.02679 225.3
[M+Na-2H]- 597.98761 212.0
[M]+ 577.01239 235.9
[M]- 577.01349 235.9
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.