CID 5311057

136982-36-0

Structural Information

Molecular Formula
C19H24N2O
SMILES
COC1=CC=CC=C1CN[C@H]2CCCN[C@H]2C3=CC=CC=C3
InChI
InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3/t17-,19-/m0/s1
InChIKey
DTQNEFOKTXXQKV-HKUYNNGSSA-N
Compound name
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

240
References

525
Patents

296.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 174.1
[M+Na]+ 319.17809 187.5
[M+NH4]+ 314.22269 182.7
[M+K]+ 335.15203 178.5
[M-H]- 295.18159 180.9
[M+Na-2H]- 317.16354 183.7
[M]+ 296.18832 177.9
[M]- 296.18942 177.9
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