CID 70673934

1171080-44-6

Structural Information

Molecular Formula
C20H24N2O3
SMILES
C1C[C@H](NC[C@@H]1NOCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H24N2O3/c23-20(24-14-16-7-3-1-4-8-16)19-12-11-18(13-21-19)22-25-15-17-9-5-2-6-10-17/h1-10,18-19,21-22H,11-15H2/t18-,19+/m1/s1
InChIKey
SHMFBKYBBMGQSQ-MOPGFXCFSA-N
Compound name
benzyl (2S,5R)-5-(phenylmethoxyamino)piperidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

340.17868 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.185956 180.2
[M+Na]+ 363.167898 181.6
[M-H]- 339.171404 185.3
[M+NH4]+ 358.212503 189.8
[M+K]+ 379.141838 176.9
[M+H-H2O]+ 323.175940 169.5
[M+HCOO]- 385.176881 197.5
[M+CH3COO]- 399.192531 208.9
[M+Na-2H]- 361.153346 183.0
[M]+ 340.17813142 175.5
[M]- 340.17922858 175.5
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