PubChemLite - 431930-05-1 (C24H21Cl2N3O4)

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)Cl)Cl)O

InChI

InChI=1S/C24H21Cl2N3O4/c1-33-17-6-3-15(4-7-17)22(30)20-21(16-5-8-18(25)19(26)13-16)29(24(32)23(20)31)11-2-10-28-12-9-27-14-28/h3-9,12-14,21,30H,2,10-11H2,1H3

InChIKey

AQKXZLOJEUYCSZ-UHFFFAOYSA-N

Compound name

5-(3,4-dichlorophenyl)-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]+	486.09818	214.1
[M+Na]+	508.08012	222.9
[M-H]-	484.08362	222.0
[M+NH4]+	503.12472	221.6
[M+K]+	524.05406	214.8
[M+H-H2O]+	468.08816	203.8
[M+HCOO]-	530.08910	221.2
[M+CH3COO]-	544.10475	221.7
[M+Na-2H]-	506.06557	206.3
[M]+	485.09035	218.9
[M]-	485.09145	218.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.09818

214.1

[M+Na]+

508.08012

222.9

[M-H]-

484.08362

222.0

[M+NH4]+

503.12472

221.6

[M+K]+

524.05406

214.8

[M+H-H2O]+

468.08816

203.8

[M+HCOO]-

530.08910

221.2

[M+CH3COO]-

544.10475

221.7

[M+Na-2H]-

506.06557

206.3

[M]+

485.09035

218.9

[M]-

485.09145

218.9

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

431930-05-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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