PubChemLite - 324069-15-0 (C26H24N2O5S)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)OC(=O)C)C(=O)/C(=C\C4=CC=C(C=C4)C)/S2)C

InChI

InChI=1S/C26H24N2O5S/c1-5-32-25(31)22-16(3)27-26-28(23(22)19-10-12-20(13-11-19)33-17(4)29)24(30)21(34-26)14-18-8-6-15(2)7-9-18/h6-14,23H,5H2,1-4H3/b21-14+

InChIKey

GRYYGKRZWIEELI-KGENOOAVSA-N

Compound name

ethyl (2E)-5-(4-acetyloxyphenyl)-7-methyl-2-[(4-methylphenyl)methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

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]+	477.14788	215.6
[M+Na]+	499.12982	225.2
[M-H]-	475.13332	224.9
[M+NH4]+	494.17442	224.3
[M+K]+	515.10376	219.3
[M+H-H2O]+	459.13786	206.1
[M+HCOO]-	521.13880	229.6
[M+CH3COO]-	535.15445	235.7
[M+Na-2H]-	497.11527	211.3
[M]+	476.14005	224.6
[M]-	476.14115	224.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.14788

215.6

[M+Na]+

499.12982

225.2

[M-H]-

475.13332

224.9

[M+NH4]+

494.17442

224.3

[M+K]+

515.10376

219.3

[M+H-H2O]+

459.13786

206.1

[M+HCOO]-

521.13880

229.6

[M+CH3COO]-

535.15445

235.7

[M+Na-2H]-

497.11527

211.3

[M]+

476.14005

224.6

[M]-

476.14115

224.6

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

324069-15-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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