PubChemLite - 103255-75-0 (C23H18Cl2N4O3)

Structural Information

Molecular Formula

SMILES

C1CN(CCC1=O)C(=O)CC2C3=C(C=CC(=C3)Cl)C(=O)N2C4=NC5=C(C=C4)C=CC(=N5)Cl

InChI

InChI=1S/C23H18Cl2N4O3/c24-14-3-4-16-17(11-14)18(12-21(31)28-9-7-15(30)8-10-28)29(23(16)32)20-6-2-13-1-5-19(25)26-22(13)27-20/h1-6,11,18H,7-10,12H2

InChIKey

XSXRUIZWVWKYMM-UHFFFAOYSA-N

Compound name

5-chloro-2-(7-chloro-1,8-naphthyridin-2-yl)-3-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-3H-isoindol-1-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]+	469.08288	210.3
[M+Na]+	491.06482	219.6
[M-H]-	467.06832	215.3
[M+NH4]+	486.10942	217.6
[M+K]+	507.03876	211.1
[M+H-H2O]+	451.07286	198.1
[M+HCOO]-	513.07380	211.8
[M+CH3COO]-	527.08945	216.9
[M+Na-2H]-	489.05027	207.0
[M]+	468.07505	211.8
[M]-	468.07615	211.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

469.08288

210.3

[M+Na]+

491.06482

219.6

[M-H]-

467.06832

215.3

[M+NH4]+

486.10942

217.6

[M+K]+

507.03876

211.1

[M+H-H2O]+

451.07286

198.1

[M+HCOO]-

513.07380

211.8

[M+CH3COO]-

527.08945

216.9

[M+Na-2H]-

489.05027

207.0

[M]+

468.07505

211.8

[M]-

468.07615

211.8

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

103255-75-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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