PubChemLite - 624726-69-8 (C24H21FN2O3S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H21FN2O3S/c1-4-30-23(29)20-15(3)26-24-27(21(20)17-9-5-14(2)6-10-17)22(28)19(31-24)13-16-7-11-18(25)12-8-16/h5-13,21H,4H2,1-3H3/b19-13+

InChIKey

ANWMHAXVGHCKOG-CPNJWEJPSA-N

Compound name

ethyl (2E)-2-[(4-fluorophenyl)methylidene]-7-methyl-5-(4-methylphenyl)-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]+	437.13298	205.2
[M+Na]+	459.11492	216.7
[M-H]-	435.11842	213.3
[M+NH4]+	454.15952	216.0
[M+K]+	475.08886	208.8
[M+H-H2O]+	419.12296	195.0
[M+HCOO]-	481.12390	219.4
[M+CH3COO]-	495.13955	214.9
[M+Na-2H]-	457.10037	201.5
[M]+	436.12515	211.2
[M]-	436.12625	211.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.13298

205.2

[M+Na]+

459.11492

216.7

[M-H]-

435.11842

213.3

[M+NH4]+

454.15952

216.0

[M+K]+

475.08886

208.8

[M+H-H2O]+

419.12296

195.0

[M+HCOO]-

481.12390

219.4

[M+CH3COO]-

495.13955

214.9

[M+Na-2H]-

457.10037

201.5

[M]+

436.12515

211.2

[M]-

436.12625

211.2

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

624726-69-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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