PubChemLite - 2-(4-ethyl-1-piperazinyl)-9-methyl-3-[(z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one (C20H23N5O2S2)

Structural Information

Molecular Formula

SMILES

CCN1CCN(CC1)C2=C(C(=O)N3C=CC=C(C3=N2)C)/C=C\4/C(=O)N(C(=S)S4)C

InChI

InChI=1S/C20H23N5O2S2/c1-4-23-8-10-24(11-9-23)17-14(12-15-19(27)22(3)20(28)29-15)18(26)25-7-5-6-13(2)16(25)21-17/h5-7,12H,4,8-11H2,1-3H3/b15-12-

InChIKey

UZMMQWBFDUQTPU-QINSGFPZSA-N

Compound name

(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

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]+	430.13658	202.9
[M+Na]+	452.11852	213.3
[M-H]-	428.12202	206.8
[M+NH4]+	447.16312	210.5
[M+K]+	468.09246	204.0
[M+H-H2O]+	412.12656	194.7
[M+HCOO]-	474.12750	204.9
[M+CH3COO]-	488.14315	210.0
[M+Na-2H]-	450.10397	195.9
[M]+	429.12875	203.4
[M]-	429.12985	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.13658

202.9

[M+Na]+

452.11852

213.3

[M-H]-

428.12202

206.8

[M+NH4]+

447.16312

210.5

[M+K]+

468.09246

204.0

[M+H-H2O]+

412.12656

194.7

[M+HCOO]-

474.12750

204.9

[M+CH3COO]-

488.14315

210.0

[M+Na-2H]-

450.10397

195.9

[M]+

429.12875

203.4

[M]-

429.12985

203.4

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

2-(4-ethyl-1-piperazinyl)-9-methyl-3-[(z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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