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

5
Patents

298.16357 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17085 171.6
[M+Na]+ 321.15279 185.2
[M+NH4]+ 316.19739 179.5
[M+K]+ 337.12673 178.0
[M-H]- 297.15629 178.2
[M+Na-2H]- 319.13824 180.2
[M]+ 298.16302 175.4
[M]- 298.16412 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe