PubChemLite - Benzhydrylidene-[2-(1-piperidyl)ethyl][?]dione (C29H30N2O2)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)CCN2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H30N2O2/c32-28-26-22-14-15-23(27(26)29(33)31(28)19-18-30-16-8-3-9-17-30)25(22)24(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-2,4-7,10-15,22-23,26-27H,3,8-9,16-19H2

InChIKey

DWDGKGDENLUHBL-UHFFFAOYSA-N

Compound name

10-benzhydrylidene-4-(2-piperidin-1-ylethyl)-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]+	439.23802	209.3
[M+Na]+	461.21996	212.7
[M-H]-	437.22346	219.0
[M+NH4]+	456.26456	222.6
[M+K]+	477.19390	205.0
[M+H-H2O]+	421.22800	199.9
[M+HCOO]-	483.22894	221.3
[M+CH3COO]-	497.24459	216.2
[M+Na-2H]-	459.20541	200.2
[M]+	438.23019	204.5
[M]-	438.23129	204.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.23802

209.3

[M+Na]+

461.21996

212.7

[M-H]-

437.22346

219.0

[M+NH4]+

456.26456

222.6

[M+K]+

477.19390

205.0

[M+H-H2O]+

421.22800

199.9

[M+HCOO]-

483.22894

221.3

[M+CH3COO]-

497.24459

216.2

[M+Na-2H]-

459.20541

200.2

[M]+

438.23019

204.5

[M]-

438.23129

204.5

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

Benzhydrylidene-[2-(1-piperidyl)ethyl][?]dione

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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