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	219.3
[M+Na]+	534.17882	223.5
[M-H]-	510.18232	230.0
[M+NH4]+	529.22342	226.3
[M+K]+	550.15276	215.3
[M+H-H2O]+	494.18686	209.5
[M+HCOO]-	556.18780	229.5
[M+CH3COO]-	570.20345	225.1
[M+Na-2H]-	532.16427	214.4
[M]+	511.18905	215.7
[M]-	511.19015	215.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

512.19688

219.3

[M+Na]+

534.17882

223.5

[M-H]-

510.18232

230.0

[M+NH4]+

529.22342

226.3

[M+K]+

550.15276

215.3

[M+H-H2O]+

494.18686

209.5

[M+HCOO]-

556.18780

229.5

[M+CH3COO]-

570.20345

225.1

[M+Na-2H]-

532.16427

214.4

[M]+

511.18905

215.7

[M]-

511.19015

215.7

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

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