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]+ 385.212176 193.5
[M+Na]+ 407.194118 197.0
[M-H]- 383.197624 200.8
[M+NH4]+ 402.238723 202.8
[M+K]+ 423.168058 193.7
[M+H-H2O]+ 367.202160 182.4
[M+HCOO]- 429.203101 211.7
[M+CH3COO]- 443.218751 223.0
[M+Na-2H]- 405.179566 193.4
[M]+ 384.20435142 193.9
[M]- 384.20544858 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.