CID 3050168

Benzamide, 2-((2-(4-hydroxy-4-phenyl-1-piperidinyl)ethyl)(phenylmethyl)amino)-, dihydrochloride

Structural Information

Molecular Formula
C27H31N3O2
SMILES
C1CN(CCC1(C2=CC=CC=C2)O)CCN(CC3=CC=CC=C3)C4=CC=CC=C4C(=O)N
InChI
InChI=1S/C27H31N3O2/c28-26(31)24-13-7-8-14-25(24)30(21-22-9-3-1-4-10-22)20-19-29-17-15-27(32,16-18-29)23-11-5-2-6-12-23/h1-14,32H,15-21H2,(H2,28,31)
InChIKey
LSBUNNXXNVTHNJ-UHFFFAOYSA-N
Compound name
2-[benzyl-[2-(4-hydroxy-4-phenylpiperidin-1-yl)ethyl]amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

429.24164 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.24892 208.6
[M+Na]+ 452.23086 221.0
[M+NH4]+ 447.27546 216.8
[M+K]+ 468.20480 210.5
[M-H]- 428.23436 217.1
[M+Na-2H]- 450.21631 220.1
[M]+ 429.24109 212.8
[M]- 429.24219 212.8
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