PubChemLite - Del-22379 (C26H28N4O3)

Structural Information

Molecular Formula

SMILES

COC1=CC2=C(C=C1)NC=C2/C=C\3/C4=C(C=CC(=C4)NC(=O)CCN5CCCCC5)NC3=O

InChI

InChI=1S/C26H28N4O3/c1-33-19-6-8-23-20(15-19)17(16-27-23)13-22-21-14-18(5-7-24(21)29-26(22)32)28-25(31)9-12-30-10-3-2-4-11-30/h5-8,13-16,27H,2-4,9-12H2,1H3,(H,28,31)(H,29,32)/b22-13-

InChIKey

INQUULPXCZAKMS-XKZIYDEJSA-N

Compound name

N-[(3Z)-3-[(5-methoxy-1H-indol-3-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-piperidin-1-ylpropanamide

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	209.4
[M+Na]+	467.20538	219.9
[M+NH4]+	462.24998	214.5
[M+K]+	483.17932	216.5
[M-H]-	443.20888	212.6
[M+Na-2H]-	465.19083	212.5
[M]+	444.21561	211.3
[M]-	444.21671	211.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

445.22344

209.4

[M+Na]+

467.20538

219.9

[M+NH4]+

462.24998

214.5

[M+K]+

483.17932

216.5

[M-H]-

443.20888

212.6

[M+Na-2H]-

465.19083

212.5

[M]+

444.21561

211.3

[M]-

444.21671

211.3

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

Del-22379

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe