CID 3236

Eperisone

Structural Information

Molecular Formula
C17H25NO
SMILES
CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2
InChI
InChI=1S/C17H25NO/c1-3-15-7-9-16(10-8-15)17(19)14(2)13-18-11-5-4-6-12-18/h7-10,14H,3-6,11-13H2,1-2H3
InChIKey
SQUNAWUMZGQQJD-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

112
References

2943
Patents

259.1936 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 165.0
[M+Na]+ 282.18282 176.7
[M+NH4]+ 277.22742 173.1
[M+K]+ 298.15676 169.3
[M-H]- 258.18632 168.6
[M+Na-2H]- 280.16827 171.4
[M]+ 259.19305 167.6
[M]- 259.19415 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe