CID 58635

2,2-diphenyl-n-((1-methyl-3-piperidyl)methyl)acetanilide hydriodide

Structural Information

Molecular Formula
C27H30N2O
SMILES
CN1CCCC(C1)CN(C2=CC=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H30N2O/c1-28-19-11-12-22(20-28)21-29(25-17-9-4-10-18-25)27(30)26(23-13-5-2-6-14-23)24-15-7-3-8-16-24/h2-10,13-18,22,26H,11-12,19-21H2,1H3
InChIKey
LNHXILGMJFWSQG-UHFFFAOYSA-N
Compound name
N-[(1-methylpiperidin-3-yl)methyl]-N,2,2-triphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2358 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.24308 201.4
[M+Na]+ 421.22502 215.7
[M+NH4]+ 416.26962 209.8
[M+K]+ 437.19896 206.0
[M-H]- 397.22852 210.7
[M+Na-2H]- 419.21047 213.2
[M]+ 398.23525 206.2
[M]- 398.23635 206.2
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.