PubChemLite - 2-(4-benzyl-1-piperazinyl)-3-[(z)-(3-methyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one (C24H23N5O2S2)

Structural Information

Molecular Formula

SMILES

CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CC5=CC=CC=C5)/SC1=S

InChI

InChI=1S/C24H23N5O2S2/c1-26-23(31)19(33-24(26)32)15-18-21(25-20-9-5-6-10-29(20)22(18)30)28-13-11-27(12-14-28)16-17-7-3-2-4-8-17/h2-10,15H,11-14,16H2,1H3/b19-15-

InChIKey

RXCCXBDYFHNZPH-CYVLTUHYSA-N

Compound name

(5Z)-5-[[2-(4-benzylpiperazin-1-yl)-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]+	478.13658	213.8
[M+Na]+	500.11852	223.1
[M-H]-	476.12202	220.1
[M+NH4]+	495.16312	218.6
[M+K]+	516.09246	212.7
[M+H-H2O]+	460.12656	203.9
[M+HCOO]-	522.12750	216.1
[M+CH3COO]-	536.14315	219.8
[M+Na-2H]-	498.10397	208.1
[M]+	477.12875	212.5
[M]-	477.12985	212.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

478.13658

213.8

[M+Na]+

500.11852

223.1

[M-H]-

476.12202

220.1

[M+NH4]+

495.16312

218.6

[M+K]+

516.09246

212.7

[M+H-H2O]+

460.12656

203.9

[M+HCOO]-

522.12750

216.1

[M+CH3COO]-

536.14315

219.8

[M+Na-2H]-

498.10397

208.1

[M]+

477.12875

212.5

[M]-

477.12985

212.5

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

2-(4-benzyl-1-piperazinyl)-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

Patent stripe