PubChemLite - 623935-64-8 (C24H20FN3OS2)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)N2C(=O)/C(=C/C3=CN(N=C3C4=CC=C(C=C4)F)C5=CC=CC=C5)/SC2=S

InChI

InChI=1S/C24H20FN3OS2/c25-18-12-10-16(11-13-18)22-17(15-27(26-22)19-6-2-1-3-7-19)14-21-23(29)28(24(30)31-21)20-8-4-5-9-20/h1-3,6-7,10-15,20H,4-5,8-9H2/b21-14-

InChIKey

IDMLPKPFEGXDPL-STZFKDTASA-N

Compound name

(5Z)-3-cyclopentyl-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-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]+	450.11046	204.8
[M+Na]+	472.09240	216.9
[M+NH4]+	467.13700	212.1
[M+K]+	488.06634	209.9
[M-H]-	448.09590	211.0
[M+Na-2H]-	470.07785	211.4
[M]+	449.10263	209.1
[M]-	449.10373	209.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

450.11046

204.8

[M+Na]+

472.09240

216.9

[M+NH4]+

467.13700

212.1

[M+K]+

488.06634

209.9

[M-H]-

448.09590

211.0

[M+Na-2H]-

470.07785

211.4

[M]+

449.10263

209.1

[M]-

449.10373

209.1

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

623935-64-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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