PubChemLite - 2-[(2-methoxyethyl)amino]-3-[(e)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one (C18H20N4O3S2)

Structural Information

Molecular Formula

SMILES

CCCN1C(=O)/C(=C\C2=C(N=C3C=CC=CN3C2=O)NCCOC)/SC1=S

InChI

InChI=1S/C18H20N4O3S2/c1-3-8-22-17(24)13(27-18(22)26)11-12-15(19-7-10-25-2)20-14-6-4-5-9-21(14)16(12)23/h4-6,9,11,19H,3,7-8,10H2,1-2H3/b13-11+

InChIKey

QZWBFTAPOMNYFR-ACCUITESSA-N

Compound name

(5E)-5-[[2-(2-methoxyethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-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]+	405.10498	192.3
[M+Na]+	427.08692	202.0
[M-H]-	403.09042	195.8
[M+NH4]+	422.13152	203.2
[M+K]+	443.06086	193.9
[M+H-H2O]+	387.09496	184.8
[M+HCOO]-	449.09590	201.1
[M+CH3COO]-	463.11155	222.6
[M+Na-2H]-	425.07237	189.7
[M]+	404.09715	197.5
[M]-	404.09825	197.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.10498

192.3

[M+Na]+

427.08692

202.0

[M-H]-

403.09042

195.8

[M+NH4]+

422.13152

203.2

[M+K]+

443.06086

193.9

[M+H-H2O]+

387.09496

184.8

[M+HCOO]-

449.09590

201.1

[M+CH3COO]-

463.11155

222.6

[M+Na-2H]-

425.07237

189.7

[M]+

404.09715

197.5

[M]-

404.09825

197.5

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

2-[(2-methoxyethyl)amino]-3-[(e)-(4-oxo-3-propyl-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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