PubChemLite - 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 (C23H20BrN3O3S2)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	530.02022	203.5
[M+Na]+	552.00216	214.9
[M-H]-	528.00566	214.2
[M+NH4]+	547.04676	216.6
[M+K]+	567.97610	200.6
[M+H-H2O]+	512.01020	204.4
[M+HCOO]-	574.01114	210.2
[M+CH3COO]-	588.02679	213.8
[M+Na-2H]-	549.98761	198.9
[M]+	529.01239	224.5
[M]-	529.01349	224.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

530.02022

203.5

[M+Na]+

552.00216

214.9

[M-H]-

528.00566

214.2

[M+NH4]+

547.04676

216.6

[M+K]+

567.97610

200.6

[M+H-H2O]+

512.01020

204.4

[M+HCOO]-

574.01114

210.2

[M+CH3COO]-

588.02679

213.8

[M+Na-2H]-

549.98761

198.9

[M]+

529.01239

224.5

[M]-

529.01349

224.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

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

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe