PubChemLite - 371130-05-1 (C24H21FN2O4S)

Structural Information

Molecular Formula

SMILES

CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3OC)C(=O)/C(=C/C4=CC=CC=C4F)/S2)C

InChI

InChI=1S/C24H21FN2O4S/c1-4-31-23(29)20-14(2)26-24-27(21(20)16-10-6-8-12-18(16)30-3)22(28)19(32-24)13-15-9-5-7-11-17(15)25/h5-13,21H,4H2,1-3H3/b19-13-

InChIKey

QYLNDLZPCSIJEJ-UYRXBGFRSA-N

Compound name

ethyl (2Z)-2-[(2-fluorophenyl)methylidene]-5-(2-methoxyphenyl)-7-methyl-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]+	453.12788	209.6
[M+Na]+	475.10982	224.5
[M+NH4]+	470.15442	215.2
[M+K]+	491.08376	216.2
[M-H]-	451.11332	212.9
[M+Na-2H]-	473.09527	215.6
[M]+	452.12005	213.1
[M]-	452.12115	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.12788

209.6

[M+Na]+

475.10982

224.5

[M+NH4]+

470.15442

215.2

[M+K]+

491.08376

216.2

[M-H]-

451.11332

212.9

[M+Na-2H]-

473.09527

215.6

[M]+

452.12005

213.1

[M]-

452.12115

213.1

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

371130-05-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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