CID 56773836

Benzyl 4-{[(3-fluorophenyl)amino]methyl}-4-hydroxypiperidine-1-carboxylate

Structural Information

Molecular Formula
C20H23FN2O3
SMILES
C1CN(CCC1(CNC2=CC(=CC=C2)F)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H23FN2O3/c21-17-7-4-8-18(13-17)22-15-20(25)9-11-23(12-10-20)19(24)26-14-16-5-2-1-3-6-16/h1-8,13,22,25H,9-12,14-15H2
InChIKey
VLKOZHAKGACLRD-UHFFFAOYSA-N
Compound name
benzyl 4-[(3-fluoroanilino)methyl]-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

358.16928 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17656 185.3
[M+Na]+ 381.15850 188.9
[M-H]- 357.16200 189.8
[M+NH4]+ 376.20310 196.6
[M+K]+ 397.13244 184.2
[M+H-H2O]+ 341.16654 174.3
[M+HCOO]- 403.16748 201.5
[M+CH3COO]- 417.18313 211.6
[M+Na-2H]- 379.14395 187.6
[M]+ 358.16873 180.3
[M]- 358.16983 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe