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]+ 273.19615 166.7
[M+Na]+ 295.17809 169.0
[M-H]- 271.18159 171.7
[M+NH4]+ 290.22269 181.2
[M+K]+ 311.15203 166.5
[M+H-H2O]+ 255.18613 158.0
[M+HCOO]- 317.18707 184.0
[M+CH3COO]- 331.20272 203.2
[M+Na-2H]- 293.16354 169.5
[M]+ 272.18832 162.3
[M]- 272.18942 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.