CID 27805

Acetamide, n-(alpha-(1-piperidinocyclohexyl)benzilidene)-, monohydrochloride

Structural Information

Molecular Formula
C20H28N2O
SMILES
CC(=O)N=C(C1=CC=CC=C1)C2(CCCCC2)N3CCCCC3
InChI
InChI=1S/C20H28N2O/c1-17(23)21-19(18-11-5-2-6-12-18)20(13-7-3-8-14-20)22-15-9-4-10-16-22/h2,5-6,11-12H,3-4,7-10,13-16H2,1H3
InChIKey
BWGAVKHSQDKGOC-UHFFFAOYSA-N
Compound name
N-[phenyl-(1-piperidin-1-ylcyclohexyl)methylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.22015 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.22743 178.8
[M+Na]+ 335.20937 178.4
[M-H]- 311.21287 185.5
[M+NH4]+ 330.25397 192.6
[M+K]+ 351.18331 175.0
[M+H-H2O]+ 295.21741 168.2
[M+HCOO]- 357.21835 193.5
[M+CH3COO]- 371.23400 208.4
[M+Na-2H]- 333.19482 179.4
[M]+ 312.21960 169.1
[M]- 312.22070 169.1
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.