CID 27797

N-(alpha-(1-methyl-1-piperidinoethyl)benzylidene)acetamide monohydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC(=O)N=C(C1=CC=CC=C1)C(C)(C)N2CCCCC2
InChI
InChI=1S/C17H24N2O/c1-14(20)18-16(15-10-6-4-7-11-15)17(2,3)19-12-8-5-9-13-19/h4,6-7,10-11H,5,8-9,12-13H2,1-3H3
InChIKey
NZZQXCCCJMOPNN-UHFFFAOYSA-N
Compound name
N-(2-methyl-1-phenyl-2-piperidin-1-ylpropylidene)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.18887 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 166.7
[M+Na]+ 295.178088 169.0
[M-H]- 271.181594 171.7
[M+NH4]+ 290.222693 181.2
[M+K]+ 311.152028 166.5
[M+H-H2O]+ 255.186130 158.0
[M+HCOO]- 317.187071 184.0
[M+CH3COO]- 331.202721 203.2
[M+Na-2H]- 293.163536 169.5
[M]+ 272.18832142 162.3
[M]- 272.18941858 162.3
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.