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 199.5
[M+Na]+ 421.22502 199.3
[M-H]- 397.22852 209.3
[M+NH4]+ 416.26962 207.1
[M+K]+ 437.19896 194.0
[M+H-H2O]+ 381.23306 186.6
[M+HCOO]- 443.23400 215.8
[M+CH3COO]- 457.24965 206.2
[M+Na-2H]- 419.21047 199.2
[M]+ 398.23525 193.7
[M]- 398.23635 193.7
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.