PubChemLite - 71746-30-0 (C23H36N2O3)

Structural Information

Molecular Formula

SMILES

CCCCCCOC1=CC=CC=C1NC(=O)O[C@@H]2[C@H](C3CCC2CC3)N(C)C

InChI

InChI=1S/C23H36N2O3/c1-4-5-6-9-16-27-20-11-8-7-10-19(20)24-23(26)28-22-18-14-12-17(13-15-18)21(22)25(2)3/h7-8,10-11,17-18,21-22H,4-6,9,12-16H2,1-3H3,(H,24,26)/t17?,18?,21-,22-/m0/s1

InChIKey

OGJMMMZOKVIXCM-OWXVKCJTSA-N

Compound name

[(2S,3S)-3-(dimethylamino)-2-bicyclo[2.2.2]octanyl] N-(2-hexoxyphenyl)carbamate

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]+	389.27986	195.3
[M+Na]+	411.26180	193.9
[M-H]-	387.26530	194.2
[M+NH4]+	406.30640	210.7
[M+K]+	427.23574	192.0
[M+H-H2O]+	371.26984	187.1
[M+HCOO]-	433.27078	205.7
[M+CH3COO]-	447.28643	234.7
[M+Na-2H]-	409.24725	199.7
[M]+	388.27203	199.5
[M]-	388.27313	199.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.27986

195.3

[M+Na]+

411.26180

193.9

[M-H]-

387.26530

194.2

[M+NH4]+

406.30640

210.7

[M+K]+

427.23574

192.0

[M+H-H2O]+

371.26984

187.1

[M+HCOO]-

433.27078

205.7

[M+CH3COO]-

447.28643

234.7

[M+Na-2H]-

409.24725

199.7

[M]+

388.27203

199.5

[M]-

388.27313

199.5

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

71746-30-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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