PubChemLite - Cp-122721 (C20H23F3N2O2)

Structural Information

Molecular Formula

SMILES

COC1=C(C=C(C=C1)OC(F)(F)F)CN[C@H]2CCCN[C@H]2C3=CC=CC=C3

InChI

InChI=1S/C20H23F3N2O2/c1-26-18-10-9-16(27-20(21,22)23)12-15(18)13-25-17-8-5-11-24-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,24-25H,5,8,11,13H2,1H3/t17-,19-/m0/s1

InChIKey

ZIWFCOIGUNPHPM-HKUYNNGSSA-N

Compound name

(2S,3S)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine

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]+	381.17845	190.7
[M+Na]+	403.16039	199.4
[M+NH4]+	398.20499	195.2
[M+K]+	419.13433	192.8
[M-H]-	379.16389	191.0
[M+Na-2H]-	401.14584	195.9
[M]+	380.17062	191.7
[M]-	380.17172	191.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.17845

190.7

[M+Na]+

403.16039

199.4

[M+NH4]+

398.20499

195.2

[M+K]+

419.13433

192.8

[M-H]-

379.16389

191.0

[M+Na-2H]-

401.14584

195.9

[M]+

380.17062

191.7

[M]-

380.17172

191.7

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

Cp-122721

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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