PubChemLite - 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 (C23H20BrN3O3S2)

Structural Information

Molecular Formula

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

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	203.6
[M+Na]+	552.00216	215.4
[M-H]-	528.00566	214.2
[M+NH4]+	547.04676	216.8
[M+K]+	567.97610	200.5
[M+H-H2O]+	512.01020	204.2
[M+HCOO]-	574.01114	211.3
[M+CH3COO]-	588.02679	214.0
[M+Na-2H]-	549.98761	199.6
[M]+	529.01239	225.0
[M]-	529.01349	225.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

530.02022

203.6

[M+Na]+

552.00216

215.4

[M-H]-

528.00566

214.2

[M+NH4]+

547.04676

216.8

[M+K]+

567.97610

200.5

[M+H-H2O]+

512.01020

204.2

[M+HCOO]-

574.01114

211.3

[M+CH3COO]-

588.02679

214.0

[M+Na-2H]-

549.98761

199.6

[M]+

529.01239

225.0

[M]-

529.01349

225.0

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-butyl-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