PubChemLite - 324071-75-2 (C24H20Cl2N2O3S)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H20Cl2N2O3S/c1-4-31-23(30)20-14(3)27-24-28(21(20)15-7-5-13(2)6-8-15)22(29)19(32-24)11-16-9-10-17(25)12-18(16)26/h5-12,21H,4H2,1-3H3/b19-11-

InChIKey

OWOMUGNOLFTDBP-ODLFYWEKSA-N

Compound name

ethyl (2Z)-2-[(2,4-dichlorophenyl)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]+	487.06444	213.5
[M+Na]+	509.04638	226.4
[M-H]-	485.04988	222.6
[M+NH4]+	504.09098	224.1
[M+K]+	525.02032	217.7
[M+H-H2O]+	469.05442	205.5
[M+HCOO]-	531.05536	219.1
[M+CH3COO]-	545.07101	223.0
[M+Na-2H]-	507.03183	208.8
[M]+	486.05661	224.3
[M]-	486.05771	224.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

487.06444

213.5

[M+Na]+

509.04638

226.4

[M-H]-

485.04988

222.6

[M+NH4]+

504.09098

224.1

[M+K]+

525.02032

217.7

[M+H-H2O]+

469.05442

205.5

[M+HCOO]-

531.05536

219.1

[M+CH3COO]-

545.07101

223.0

[M+Na-2H]-

507.03183

208.8

[M]+

486.05661

224.3

[M]-

486.05771

224.3

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

324071-75-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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