CID 44587

63639-59-8

Structural Information

Molecular Formula
C22H28N2O4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H28N2O4/c1-26-19-13-17(14-20(27-2)21(19)28-3)22(25)23-18-9-11-24(12-10-18)15-16-7-5-4-6-8-16/h4-8,13-14,18H,9-12,15H2,1-3H3,(H,23,25)
InChIKey
XISFUQHYAOBCMD-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.2049 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21218 193.5
[M+Na]+ 407.19412 197.0
[M-H]- 383.19762 200.8
[M+NH4]+ 402.23872 202.8
[M+K]+ 423.16806 193.7
[M+H-H2O]+ 367.20216 182.4
[M+HCOO]- 429.20310 211.7
[M+CH3COO]- 443.21875 223.0
[M+Na-2H]- 405.17957 193.4
[M]+ 384.20435 193.9
[M]- 384.20545 193.9
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.