PubChemLite - (2e,5z)-5-(1-methyl-2-oxo-indolin-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]thiazolidin-4-one (C20H13N5O3S)

Structural Information

Molecular Formula

SMILES

CN1C2=CC=CC=C2/C(=C/3\C(=O)N/C(=N\C4=NN=C(O4)C5=CC=CC=C5)/S3)/C1=O

InChI

InChI=1S/C20H13N5O3S/c1-25-13-10-6-5-9-12(13)14(18(25)27)15-16(26)21-20(29-15)22-19-24-23-17(28-19)11-7-3-2-4-8-11/h2-10H,1H3,(H,21,22,24,26)/b15-14-

InChIKey

SRZRFTUDMHONEM-PFONDFGASA-N

Compound name

(2E,5Z)-5-(1-methyl-2-oxoindol-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one

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]+	404.08118	194.4
[M+Na]+	426.06312	205.5
[M-H]-	402.06662	206.2
[M+NH4]+	421.10772	205.6
[M+K]+	442.03706	199.9
[M+H-H2O]+	386.07116	187.1
[M+HCOO]-	448.07210	209.4
[M+CH3COO]-	462.08775	204.8
[M+Na-2H]-	424.04857	189.2
[M]+	403.07335	196.5
[M]-	403.07445	196.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.08118

194.4

[M+Na]+

426.06312

205.5

[M-H]-

402.06662

206.2

[M+NH4]+

421.10772

205.6

[M+K]+

442.03706

199.9

[M+H-H2O]+

386.07116

187.1

[M+HCOO]-

448.07210

209.4

[M+CH3COO]-

462.08775

204.8

[M+Na-2H]-

424.04857

189.2

[M]+

403.07335

196.5

[M]-

403.07445

196.5

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

(2e,5z)-5-(1-methyl-2-oxo-indolin-3-ylidene)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]thiazolidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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