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]+ 313.227426 178.8
[M+Na]+ 335.209368 178.4
[M-H]- 311.212874 185.5
[M+NH4]+ 330.253973 192.6
[M+K]+ 351.183308 175.0
[M+H-H2O]+ 295.217410 168.2
[M+HCOO]- 357.218351 193.5
[M+CH3COO]- 371.234001 208.4
[M+Na-2H]- 333.194816 179.4
[M]+ 312.21960142 169.1
[M]- 312.22069858 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.