PubChemLite - 1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one (C26H28N4O3)

Structural Information

Molecular Formula

SMILES

C1CCN(C1)C(=O)[C@@H]2CCCN2C(=O)CCN3C4=CC=CC=C4N=C(C3=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O3/c31-23(29-17-8-13-22(29)25(32)28-15-6-7-16-28)14-18-30-21-12-5-4-11-20(21)27-24(26(30)33)19-9-2-1-3-10-19/h1-5,9-12,22H,6-8,13-18H2/t22-/m0/s1

InChIKey

KWCKZIJGKMCYCI-QFIPXVFZSA-N

Compound name

1-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]-3-phenylquinoxalin-2-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]+	445.22344	208.0
[M+Na]+	467.20538	211.8
[M-H]-	443.20888	215.9
[M+NH4]+	462.24998	214.7
[M+K]+	483.17932	205.5
[M+H-H2O]+	427.21342	195.6
[M+HCOO]-	489.21436	219.9
[M+CH3COO]-	503.23001	214.4
[M+Na-2H]-	465.19083	202.0
[M]+	444.21561	204.7
[M]-	444.21671	204.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.22344

208.0

[M+Na]+

467.20538

211.8

[M-H]-

443.20888

215.9

[M+NH4]+

462.24998

214.7

[M+K]+

483.17932

205.5

[M+H-H2O]+

427.21342

195.6

[M+HCOO]-

489.21436

219.9

[M+CH3COO]-

503.23001

214.4

[M+Na-2H]-

465.19083

202.0

[M]+

444.21561

204.7

[M]-

444.21671

204.7

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

1-{3-oxo-3-[(2s)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1h)-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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