PubChemLite - 617694-85-6 (C23H21N3O5S2)

Structural Information

Molecular Formula

SMILES

CCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=C(C=C(C=C4)OC)OC)/SC1=S

InChI

InChI=1S/C23H21N3O5S2/c1-4-25-22(29)20(33-23(25)32)19-14-7-5-6-8-16(14)26(21(19)28)12-18(27)24-15-10-9-13(30-2)11-17(15)31-3/h5-11H,4,12H2,1-3H3,(H,24,27)/b20-19-

InChIKey

OSOKKSJSYBCWGH-VXPUYCOJSA-N

Compound name

N-(2,4-dimethoxyphenyl)-2-[(3Z)-3-(3-ethyl-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]+	484.09953	214.2
[M+Na]+	506.08147	222.6
[M-H]-	482.08497	222.7
[M+NH4]+	501.12607	224.7
[M+K]+	522.05541	216.1
[M+H-H2O]+	466.08951	208.2
[M+HCOO]-	528.09045	223.1
[M+CH3COO]-	542.10610	237.1
[M+Na-2H]-	504.06692	207.5
[M]+	483.09170	220.5
[M]-	483.09280	220.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.09953

214.2

[M+Na]+

506.08147

222.6

[M-H]-

482.08497

222.7

[M+NH4]+

501.12607

224.7

[M+K]+

522.05541

216.1

[M+H-H2O]+

466.08951

208.2

[M+HCOO]-

528.09045

223.1

[M+CH3COO]-

542.10610

237.1

[M+Na-2H]-

504.06692

207.5

[M]+

483.09170

220.5

[M]-

483.09280

220.5

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

617694-85-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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