CID 5311057

872726-33-5

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

563
Patents

296.18887 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 171.1
[M+Na]+ 319.178088 174.3
[M-H]- 295.181594 176.7
[M+NH4]+ 314.222693 183.2
[M+K]+ 335.152028 168.5
[M+H-H2O]+ 279.186130 161.1
[M+HCOO]- 341.187071 189.2
[M+CH3COO]- 355.202721 180.1
[M+Na-2H]- 317.163536 174.7
[M]+ 296.18832142 165.1
[M]- 296.18941858 165.1
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