CID 5850528

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

Structural Information

Molecular Formula
C23H20BrN3O3S2
SMILES
CCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C23H20BrN3O3S2/c1-2-3-11-26-22(30)20(32-23(26)31)19-16-9-4-5-10-17(16)27(21(19)29)13-18(28)25-15-8-6-7-14(24)12-15/h4-10,12H,2-3,11,13H2,1H3,(H,25,28)/b20-19-
InChIKey
NRXNHXUZTTZDDH-VXPUYCOJSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-3-(3-butyl-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

529.01294 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.02022 200.4
[M+Na]+ 552.00216 201.4
[M+NH4]+ 547.04676 202.9
[M+K]+ 567.97610 200.8
[M-H]- 528.00566 202.2
[M+Na-2H]- 549.98761 200.8
[M]+ 529.01239 200.4
[M]- 529.01349 200.4
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.