CID 3048533

N-benzyl-n-(2-(4-hydroxy-4-phenylpiperidino)-2-methyl)ethylpropionamide oxalate

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCC(=O)N(CC1=CC=CC=C1)CC(C)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C24H32N2O2/c1-3-23(27)26(19-21-10-6-4-7-11-21)18-20(2)25-16-14-24(28,15-17-25)22-12-8-5-9-13-22/h4-13,20,28H,3,14-19H2,1-2H3
InChIKey
YWKXVMCYTWCMII-UHFFFAOYSA-N
Compound name
N-benzyl-N-[2-(4-hydroxy-4-phenylpiperidin-1-yl)propyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 196.2
[M+Na]+ 403.23559 196.8
[M-H]- 379.23909 202.4
[M+NH4]+ 398.28019 206.8
[M+K]+ 419.20953 193.1
[M+H-H2O]+ 363.24363 185.5
[M+HCOO]- 425.24457 211.4
[M+CH3COO]- 439.26022 222.1
[M+Na-2H]- 401.22104 195.8
[M]+ 380.24582 192.3
[M]- 380.24692 192.3
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.