PubChemLite - 431927-94-5 (C24H25Cl2N3O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCNCC3)C4=CC(=C(C=C4)Cl)Cl)O

InChI

InChI=1S/C24H25Cl2N3O4/c1-33-17-5-2-15(3-6-17)22(30)20-21(16-4-7-18(25)19(26)14-16)29(24(32)23(20)31)13-12-28-10-8-27-9-11-28/h2-7,14,21,27,30H,8-13H2,1H3

InChIKey

YCTJDOFWKUQAKX-UHFFFAOYSA-N

Compound name

5-(3,4-dichlorophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-piperazin-1-ylethyl)pyrrolidine-2,3-dione

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]+	490.12950	215.1
[M+Na]+	512.11144	220.8
[M-H]-	488.11494	220.0
[M+NH4]+	507.15604	219.6
[M+K]+	528.08538	212.2
[M+H-H2O]+	472.11948	204.3
[M+HCOO]-	534.12042	215.7
[M+CH3COO]-	548.13607	220.3
[M+Na-2H]-	510.09689	207.0
[M]+	489.12167	213.2
[M]-	489.12277	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

490.12950

215.1

[M+Na]+

512.11144

220.8

[M-H]-

488.11494

220.0

[M+NH4]+

507.15604

219.6

[M+K]+

528.08538

212.2

[M+H-H2O]+

472.11948

204.3

[M+HCOO]-

534.12042

215.7

[M+CH3COO]-

548.13607

220.3

[M+Na-2H]-

510.09689

207.0

[M]+

489.12167

213.2

[M]-

489.12277

213.2

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

431927-94-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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