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 206.1
[M+Na]+ 452.23086 206.9
[M-H]- 428.23436 214.8
[M+NH4]+ 447.27546 213.6
[M+K]+ 468.20480 201.3
[M+H-H2O]+ 412.23890 193.5
[M+HCOO]- 474.23984 222.7
[M+CH3COO]- 488.25549 212.2
[M+Na-2H]- 450.21631 206.8
[M]+ 429.24109 200.0
[M]- 429.24219 200.0
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