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	208.3
[M+Na]+	475.10982	219.3
[M-H]-	451.11332	216.4
[M+NH4]+	470.15442	218.2
[M+K]+	491.08376	212.3
[M+H-H2O]+	435.11786	197.9
[M+HCOO]-	497.11880	222.6
[M+CH3COO]-	511.13445	230.7
[M+Na-2H]-	473.09527	204.8
[M]+	452.12005	215.6
[M]-	452.12115	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.12788

208.3

[M+Na]+

475.10982

219.3

[M-H]-

451.11332

216.4

[M+NH4]+

470.15442

218.2

[M+K]+

491.08376

212.3

[M+H-H2O]+

435.11786

197.9

[M+HCOO]-

497.11880

222.6

[M+CH3COO]-

511.13445

230.7

[M+Na-2H]-

473.09527

204.8

[M]+

452.12005

215.6

[M]-

452.12115

215.6

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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