CID 203529

Alpha-methyl-4'-((p-methylbenzyl)oxy)-1-piperidineacetanilide monohydrochloride

Structural Information

Molecular Formula
C22H28N2O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)C(C)N3CCCCC3
InChI
InChI=1S/C22H28N2O2/c1-17-6-8-19(9-7-17)16-26-21-12-10-20(11-13-21)23-22(25)18(2)24-14-4-3-5-15-24/h6-13,18H,3-5,14-16H2,1-2H3,(H,23,25)
InChIKey
AWEZOFXEWATDMB-UHFFFAOYSA-N
Compound name
N-[4-[(4-methylphenyl)methoxy]phenyl]-2-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.2151 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.22238 187.3
[M+Na]+ 375.20432 189.0
[M-H]- 351.20782 193.8
[M+NH4]+ 370.24892 197.4
[M+K]+ 391.17826 184.6
[M+H-H2O]+ 335.21236 176.5
[M+HCOO]- 397.21330 204.1
[M+CH3COO]- 411.22895 217.1
[M+Na-2H]- 373.18977 187.3
[M]+ 352.21455 183.4
[M]- 352.21565 183.4
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.