PubChemLite - 612077-15-3 (C24H19FN2O5S)

Structural Information

Molecular Formula

SMILES

CC1=C(C(N2C(=O)/C(=C/C3=CC=C(C=C3)F)/SC2=N1)C4=CC=C(C=C4)C(=O)OC)C(=O)OC

InChI

InChI=1S/C24H19FN2O5S/c1-13-19(23(30)32-3)20(15-6-8-16(9-7-15)22(29)31-2)27-21(28)18(33-24(27)26-13)12-14-4-10-17(25)11-5-14/h4-12,20H,1-3H3/b18-12-

InChIKey

RKANNLXDXRUURI-PDGQHHTCSA-N

Compound name

methyl (2Z)-2-[(4-fluorophenyl)methylidene]-5-(4-methoxycarbonylphenyl)-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]+	467.10716	209.9
[M+Na]+	489.08910	220.5
[M-H]-	465.09260	218.2
[M+NH4]+	484.13370	219.0
[M+K]+	505.06304	214.4
[M+H-H2O]+	449.09714	199.8
[M+HCOO]-	511.09808	223.6
[M+CH3COO]-	525.11373	232.6
[M+Na-2H]-	487.07455	206.0
[M]+	466.09933	217.3
[M]-	466.10043	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.10716

209.9

[M+Na]+

489.08910

220.5

[M-H]-

465.09260

218.2

[M+NH4]+

484.13370

219.0

[M+K]+

505.06304

214.4

[M+H-H2O]+

449.09714

199.8

[M+HCOO]-

511.09808

223.6

[M+CH3COO]-

525.11373

232.6

[M+Na-2H]-

487.07455

206.0

[M]+

466.09933

217.3

[M]-

466.10043

217.3

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

612077-15-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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