PubChemLite - 371118-01-3 (C24H22BrN3O4)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)Br)O

InChI

InChI=1S/C24H22BrN3O4/c1-32-19-9-5-17(6-10-19)22(29)20-21(16-3-7-18(25)8-4-16)28(24(31)23(20)30)13-2-12-27-14-11-26-15-27/h3-11,14-15,21,29H,2,12-13H2,1H3

InChIKey

LPPNSUKQCUDKMN-UHFFFAOYSA-N

Compound name

5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-imidazol-1-ylpropyl)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]+	496.08666	209.7
[M+Na]+	518.06860	219.0
[M-H]-	494.07210	220.4
[M+NH4]+	513.11320	219.4
[M+K]+	534.04254	206.4
[M+H-H2O]+	478.07664	206.5
[M+HCOO]-	540.07758	224.7
[M+CH3COO]-	554.09323	230.2
[M+Na-2H]-	516.05405	205.3
[M]+	495.07883	229.0
[M]-	495.07993	229.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

496.08666

209.7

[M+Na]+

518.06860

219.0

[M-H]-

494.07210

220.4

[M+NH4]+

513.11320

219.4

[M+K]+

534.04254

206.4

[M+H-H2O]+

478.07664

206.5

[M+HCOO]-

540.07758

224.7

[M+CH3COO]-

554.09323

230.2

[M+Na-2H]-

516.05405

205.3

[M]+

495.07883

229.0

[M]-

495.07993

229.0

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

371118-01-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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