PubChemLite - 617694-84-5 (C22H19N3O5S2)

Structural Information

Molecular Formula

SMILES

CN1C(=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/C22H19N3O5S2/c1-24-21(28)19(32-22(24)31)18-13-6-4-5-7-15(13)25(20(18)27)11-17(26)23-14-9-8-12(29-2)10-16(14)30-3/h4-10H,11H2,1-3H3,(H,23,26)/b19-18-

InChIKey

UMDZVACGCNYEQV-HNENSFHCSA-N

Compound name

N-(2,4-dimethoxyphenyl)-2-[(3Z)-3-(3-methyl-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]+	470.08388	210.3
[M+Na]+	492.06582	219.2
[M-H]-	468.06932	219.0
[M+NH4]+	487.11042	221.4
[M+K]+	508.03976	212.9
[M+H-H2O]+	452.07386	204.5
[M+HCOO]-	514.07480	219.5
[M+CH3COO]-	528.09045	234.3
[M+Na-2H]-	490.05127	204.0
[M]+	469.07605	216.3
[M]-	469.07715	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.08388

210.3

[M+Na]+

492.06582

219.2

[M-H]-

468.06932

219.0

[M+NH4]+

487.11042

221.4

[M+K]+

508.03976

212.9

[M+H-H2O]+

452.07386

204.5

[M+HCOO]-

514.07480

219.5

[M+CH3COO]-

528.09045

234.3

[M+Na-2H]-

490.05127

204.0

[M]+

469.07605

216.3

[M]-

469.07715

216.3

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

617694-84-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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