CID 44569759

(s,s)-(11c)mener

Structural Information

Molecular Formula

C₁₈H₂₁NO₃

SMILES

[11CH3]OC1=CC=CC=C1O[C@H]([C@@H]2CNCCO2)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO3/c1-20-15-9-5-6-10-16(15)22-18(14-7-3-2-4-8-14)17-13-19-11-12-21-17/h2-10,17-19H,11-13H2,1H3/t17-,18-/m0/s1/i1-1

InChIKey

MZGJHBJKODTIQM-RIVWMEAKSA-N

Compound name

(2S)-2-[(S)-(2-(111C)methoxyphenoxy)-phenylmethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 298.16357 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

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]+	299.170846	170.1
[M+Na]+	321.152788	173.2
[M-H]-	297.156294	176.4
[M+NH4]+	316.197393	180.6
[M+K]+	337.126728	170.5
[M+H-H2O]+	281.160830	160.1
[M+HCOO]-	343.161771	186.0
[M+CH3COO]-	357.177421	179.4
[M+Na-2H]-	319.138236	173.9
[M]+	298.16302142	166.8
[M]-	298.16411858	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe