CID 5836781

N-(3-bromophenyl)-2-[(3z)-3-(3-isobutyl-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
CC(C)CN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC(=CC=C4)Br)/SC1=S
InChI
InChI=1S/C23H20BrN3O3S2/c1-13(2)11-27-22(30)20(32-23(27)31)19-16-8-3-4-9-17(16)26(21(19)29)12-18(28)25-15-7-5-6-14(24)10-15/h3-10,13H,11-12H2,1-2H3,(H,25,28)/b20-19-
InChIKey
YFKDPNNOOGBDPI-VXPUYCOJSA-N
Compound name
N-(3-bromophenyl)-2-[(3Z)-3-[3-(2-methylpropyl)-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

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 530.02022 198.2
[M+Na]+ 552.00216 198.8
[M+NH4]+ 547.04676 200.6
[M+K]+ 567.97610 199.1
[M-H]- 528.00566 199.8
[M+Na-2H]- 549.98761 198.6
[M]+ 529.01239 198.0
[M]- 529.01349 198.0
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.