4-piperidinol, 4-phenyl-5-piperidinomethyl-1,2,5-trimethyl-, cinnamate, dihydrochloride (C29H38N2O2)

Structural Information

Molecular Formula

SMILES

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C29H38N2O2/c1-24-21-29(26-15-9-5-10-16-26,33-27(32)18-17-25-13-7-4-8-14-25)28(2,22-30(24)3)23-31-19-11-6-12-20-31/h4-5,7-10,13-18,24H,6,11-12,19-23H2,1-3H3/b18-17+

InChIKey

BDUMJCXYYKRNJU-ISLYRVAYSA-N

Compound name

[1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate

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]+	447.300606	215.9
[M+Na]+	469.282548	217.2
[M-H]-	445.286054	223.1
[M+NH4]+	464.327153	224.5
[M+K]+	485.256488	211.1
[M+H-H2O]+	429.290590	202.2
[M+HCOO]-	491.291531	226.0
[M+CH3COO]-	505.307181	221.0
[M+Na-2H]-	467.267996	213.2
[M]+	446.29278142	209.2
[M]-	446.29387858	209.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.300606

215.9

[M+Na]+

469.282548

217.2

[M-H]-

445.286054

223.1

[M+NH4]+

464.327153

224.5

[M+K]+

485.256488

211.1

[M+H-H2O]+

429.290590

202.2

[M+HCOO]-

491.291531

226.0

[M+CH3COO]-

505.307181

221.0

[M+Na-2H]-

467.267996

213.2

[M]+

446.29278142

209.2

[M]-

446.29387858

209.2

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

4-piperidinol, 4-phenyl-5-piperidinomethyl-1,2,5-trimethyl-, cinnamate, dihydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe