PubChemLite - 73826-54-7 (C28H33N3O)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C2(CCN(CC2)CC=C3C4=CC=CC=C4C=CC5=CC=CC=C53)C(=O)N

InChI

InChI=1S/C28H33N3O/c29-27(32)28(31-17-6-1-7-18-31)15-20-30(21-16-28)19-14-26-24-10-4-2-8-22(24)12-13-23-9-3-5-11-25(23)26/h2-5,8-14H,1,6-7,15-21H2,(H2,29,32)

InChIKey

MRWNVXHUNVCQAD-UHFFFAOYSA-N

Compound name

4-piperidin-1-yl-1-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)ethyl]piperidine-4-carboxamide

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]+	428.26964	210.2
[M+Na]+	450.25158	211.5
[M-H]-	426.25508	216.5
[M+NH4]+	445.29618	218.7
[M+K]+	466.22552	207.0
[M+H-H2O]+	410.25962	197.9
[M+HCOO]-	472.26056	218.9
[M+CH3COO]-	486.27621	214.7
[M+Na-2H]-	448.23703	209.6
[M]+	427.26181	197.7
[M]-	427.26291	197.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.26964

210.2

[M+Na]+

450.25158

211.5

[M-H]-

426.25508

216.5

[M+NH4]+

445.29618

218.7

[M+K]+

466.22552

207.0

[M+H-H2O]+

410.25962

197.9

[M+HCOO]-

472.26056

218.9

[M+CH3COO]-

486.27621

214.7

[M+Na-2H]-

448.23703

209.6

[M]+

427.26181

197.7

[M]-

427.26291

197.7

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

73826-54-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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