PubChemLite - Cft7455 (C28H27N3O4)

Structural Information

Molecular Formula

SMILES

C1CC(=O)NC(=O)[C@H]1N2C3=C4C(=C(C=C3)CC5=CC=C(C=C5)CN6CCOCC6)C=CC=C4C2=O

InChI

InChI=1S/C28H27N3O4/c32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30/h1-9,24H,10-17H2,(H,29,32,33)/t24-/m0/s1

InChIKey

MUKCJOOKCZSQNW-DEOSSOPVSA-N

Compound name

(3S)-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-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]+	470.20744	216.0
[M+Na]+	492.18938	230.2
[M+NH4]+	487.23398	222.3
[M+K]+	508.16332	223.7
[M-H]-	468.19288	223.0
[M+Na-2H]-	490.17483	219.8
[M]+	469.19961	219.9
[M]-	469.20071	219.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.20744

216.0

[M+Na]+

492.18938

230.2

[M+NH4]+

487.23398

222.3

[M+K]+

508.16332

223.7

[M-H]-

468.19288

223.0

[M+Na-2H]-

490.17483

219.8

[M]+

469.19961

219.9

[M]-

469.20071

219.9

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

Cft7455

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe