CID 165362255

U5lp8k8kwp

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CCC(=O)N(C1CCN(CC1)CCC2=CC(=C(C=C2)OC)OC)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O3/c1-4-24(27)26(20-8-6-5-7-9-20)21-13-16-25(17-14-21)15-12-19-10-11-22(28-2)23(18-19)29-3/h5-11,18,21H,4,12-17H2,1-3H3
InChIKey
UAMWMLGPFPCSAP-UHFFFAOYSA-N
Compound name
N-[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2413 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.248576 199.4
[M+Na]+ 419.230518 201.3
[M-H]- 395.234024 207.3
[M+NH4]+ 414.275123 208.5
[M+K]+ 435.204458 198.2
[M+H-H2O]+ 379.238560 187.7
[M+HCOO]- 441.239501 217.1
[M+CH3COO]- 455.255151 228.6
[M+Na-2H]- 417.215966 198.0
[M]+ 396.24075142 199.8
[M]- 396.24184858 199.8
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.