PubChemLite - 488725-15-1 (C25H28Cl2N2O4)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN1C(C(=C(C2=CC(=C(C=C2)OC)C)O)C(=O)C1=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C25H28Cl2N2O4/c1-5-28(6-2)11-12-29-22(18-9-8-17(26)14-19(18)27)21(24(31)25(29)32)23(30)16-7-10-20(33-4)15(3)13-16/h7-10,13-14,22,30H,5-6,11-12H2,1-4H3

InChIKey

YQHLKDQNJBWEHQ-UHFFFAOYSA-N

Compound name

5-(2,4-dichlorophenyl)-1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]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]+	491.14988	217.2
[M+Na]+	513.13182	225.2
[M-H]-	489.13532	225.4
[M+NH4]+	508.17642	226.7
[M+K]+	529.10576	218.3
[M+H-H2O]+	473.13986	209.3
[M+HCOO]-	535.14080	226.5
[M+CH3COO]-	549.15645	242.7
[M+Na-2H]-	511.11727	209.3
[M]+	490.14205	224.5
[M]-	490.14315	224.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.14988

217.2

[M+Na]+

513.13182

225.2

[M-H]-

489.13532

225.4

[M+NH4]+

508.17642

226.7

[M+K]+

529.10576

218.3

[M+H-H2O]+

473.13986

209.3

[M+HCOO]-

535.14080

226.5

[M+CH3COO]-

549.15645

242.7

[M+Na-2H]-

511.11727

209.3

[M]+

490.14205

224.5

[M]-

490.14315

224.5

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

488725-15-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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