PubChemLite - Norbormide (C33H25N3O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(=C2C3C=C(C2C4C3C(=O)NC4=O)C(C5=CC=CC=C5)(C6=CC=CC=N6)O)C7=CC=CC=N7

InChI

InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)

InChIKey

DNTHHIVFNQZZRD-UHFFFAOYSA-N

Compound name

8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-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]+	512.19688	221.8
[M+Na]+	534.17882	235.3
[M+NH4]+	529.22342	228.2
[M+K]+	550.15276	233.1
[M-H]-	510.18232	228.1
[M+Na-2H]-	532.16427	228.7
[M]+	511.18905	225.5
[M]-	511.19015	225.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.19688

221.8

[M+Na]+

534.17882

235.3

[M+NH4]+

529.22342

228.2

[M+K]+

550.15276

233.1

[M-H]-

510.18232

228.1

[M+Na-2H]-

532.16427

228.7

[M]+

511.18905

225.5

[M]-

511.19015

225.5

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

Norbormide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe