PubChemLite - (2e,5z)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(1-methyl-2-oxo-indolin-3-ylidene)thiazolidin-4-one (C20H12ClN5O3S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H12ClN5O3S/c1-26-13-5-3-2-4-12(13)14(18(26)28)15-16(27)22-20(30-15)23-19-25-24-17(29-19)10-6-8-11(21)9-7-10/h2-9H,1H3,(H,22,23,25,27)/b15-14-

InChIKey

RFYHMXZFKBLJQT-PFONDFGASA-N

Compound name

(2E,5Z)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(1-methyl-2-oxoindol-3-ylidene)-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]+	438.04222	205.0
[M+Na]+	460.02416	217.2
[M-H]-	436.02766	216.8
[M+NH4]+	455.06876	215.8
[M+K]+	475.99810	210.7
[M+H-H2O]+	420.03220	197.7
[M+HCOO]-	482.03314	215.1
[M+CH3COO]-	496.04879	214.9
[M+Na-2H]-	458.00961	198.2
[M]+	437.03439	209.3
[M]-	437.03549	209.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

438.04222

205.0

[M+Na]+

460.02416

217.2

[M-H]-

436.02766

216.8

[M+NH4]+

455.06876

215.8

[M+K]+

475.99810

210.7

[M+H-H2O]+

420.03220

197.7

[M+HCOO]-

482.03314

215.1

[M+CH3COO]-

496.04879

214.9

[M+Na-2H]-

458.00961

198.2

[M]+

437.03439

209.3

[M]-

437.03549

209.3

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe