PubChemLite - N-[5-[[(3z)-1-hydroxy-3-[hydroxy(phenyl)methylene]-2-oxo-indolin-6-yl]sulfamoyl]-4-methyl-thiazol-2-yl]acetamide (C21H18N4O6S2)

Structural Information

Molecular Formula

SMILES

CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC2=CC3=C(C=C2)C(=C(N3O)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O6S2/c1-11-20(32-21(22-11)23-12(2)26)33(30,31)24-14-8-9-15-16(10-14)25(29)19(28)17(15)18(27)13-6-4-3-5-7-13/h3-10,24,28-29H,1-2H3,(H,22,23,26)

InChIKey

ONHQJVFSEDMIIP-UHFFFAOYSA-N

Compound name

N-[5-[(3-benzoyl-1,2-dihydroxyindol-6-yl)sulfamoyl]-4-methyl-1,3-thiazol-2-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]+	487.07405	210.2
[M+Na]+	509.05599	218.5
[M-H]-	485.05949	217.6
[M+NH4]+	504.10059	218.4
[M+K]+	525.02993	213.1
[M+H-H2O]+	469.06403	204.6
[M+HCOO]-	531.06497	220.7
[M+CH3COO]-	545.08062	233.7
[M+Na-2H]-	507.04144	210.8
[M]+	486.06622	217.1
[M]-	486.06732	217.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.07405

210.2

[M+Na]+

509.05599

218.5

[M-H]-

485.05949

217.6

[M+NH4]+

504.10059

218.4

[M+K]+

525.02993

213.1

[M+H-H2O]+

469.06403

204.6

[M+HCOO]-

531.06497

220.7

[M+CH3COO]-

545.08062

233.7

[M+Na-2H]-

507.04144

210.8

[M]+

486.06622

217.1

[M]-

486.06732

217.1

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

N-[5-[[(3z)-1-hydroxy-3-[hydroxy(phenyl)methylene]-2-oxo-indolin-6-yl]sulfamoyl]-4-methyl-thiazol-2-yl]acetamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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