PubChemLite - Tilidine (C17H23NO2)

Structural Information

Molecular Formula

SMILES

CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2

InChI

InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1

InChIKey

WDEFBBTXULIOBB-WBVHZDCISA-N

Compound name

ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate

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]+	274.18016	165.7
[M+Na]+	296.16210	170.1
[M-H]-	272.16560	173.0
[M+NH4]+	291.20670	183.8
[M+K]+	312.13604	168.7
[M+H-H2O]+	256.17014	158.0
[M+HCOO]-	318.17108	187.4
[M+CH3COO]-	332.18673	204.1
[M+Na-2H]-	294.14755	168.9
[M]+	273.17233	165.7
[M]-	273.17343	165.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

274.18016

165.7

[M+Na]+

296.16210

170.1

[M-H]-

272.16560

173.0

[M+NH4]+

291.20670

183.8

[M+K]+

312.13604

168.7

[M+H-H2O]+

256.17014

158.0

[M+HCOO]-

318.17108

187.4

[M+CH3COO]-

332.18673

204.1

[M+Na-2H]-

294.14755

168.9

[M]+

273.17233

165.7

[M]-

273.17343

165.7

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

Tilidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe