CID 56773883

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

Structural Information

Molecular Formula
C22H28N2O3
SMILES
CC1=C(C=C(C=C1)NCC2(CCN(CC2)C(=O)OCC3=CC=CC=C3)O)C
InChI
InChI=1S/C22H28N2O3/c1-17-8-9-20(14-18(17)2)23-16-22(26)10-12-24(13-11-22)21(25)27-15-19-6-4-3-5-7-19/h3-9,14,23,26H,10-13,15-16H2,1-2H3
InChIKey
FBMFQMXTZPYLLQ-UHFFFAOYSA-N
Compound name
benzyl 4-[(3,4-dimethylanilino)methyl]-4-hydroxypiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.21 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.21728 191.7
[M+Na]+ 391.19922 203.7
[M+NH4]+ 386.24382 199.7
[M+K]+ 407.17316 194.3
[M-H]- 367.20272 196.9
[M+Na-2H]- 389.18467 200.5
[M]+ 368.20945 194.9
[M]- 368.21055 194.9
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

No patent data available for this compound.