PubChemLite - 2-(4-ethyl-1-piperazinyl)-3-[(z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one (C21H25N5O2S2)

Structural Information

Molecular Formula

SMILES

CCN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)C(C)C

InChI

InChI=1S/C21H25N5O2S2/c1-4-23-9-11-24(12-10-23)18-15(19(27)25-8-6-5-7-17(25)22-18)13-16-20(28)26(14(2)3)21(29)30-16/h5-8,13-14H,4,9-12H2,1-3H3/b16-13-

InChIKey

MKAZVHXVFNDIMU-SSZFMOIBSA-N

Compound name

(5Z)-5-[[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propan-2-yl-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]+	444.15224	205.1
[M+Na]+	466.13418	213.8
[M-H]-	442.13768	208.5
[M+NH4]+	461.17878	211.7
[M+K]+	482.10812	205.0
[M+H-H2O]+	426.14222	196.6
[M+HCOO]-	488.14316	205.8
[M+CH3COO]-	502.15881	211.4
[M+Na-2H]-	464.11963	197.7
[M]+	443.14441	205.0
[M]-	443.14551	205.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.15224

205.1

[M+Na]+

466.13418

213.8

[M-H]-

442.13768

208.5

[M+NH4]+

461.17878

211.7

[M+K]+

482.10812

205.0

[M+H-H2O]+

426.14222

196.6

[M+HCOO]-

488.14316

205.8

[M+CH3COO]-

502.15881

211.4

[M+Na-2H]-

464.11963

197.7

[M]+

443.14441

205.0

[M]-

443.14551

205.0

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)-3-[(z)-(3-isopropyl-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

Patent stripe