CID 44585

63639-55-4

Structural Information

Molecular Formula
C22H27N3O3
SMILES
CC(=O)NC1=CC(=C(C=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)OC
InChI
InChI=1S/C22H27N3O3/c1-16(26)23-19-8-9-20(21(14-19)28-2)22(27)24-18-10-12-25(13-11-18)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,26)(H,24,27)
InChIKey
UKCSQJJFWQUPNP-UHFFFAOYSA-N
Compound name
4-acetamido-N-(1-benzylpiperidin-4-yl)-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.20523 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.21251 192.6
[M+Na]+ 404.19445 194.5
[M-H]- 380.19795 199.5
[M+NH4]+ 399.23905 201.3
[M+K]+ 420.16839 190.5
[M+H-H2O]+ 364.20249 181.6
[M+HCOO]- 426.20343 210.8
[M+CH3COO]- 440.21908 224.4
[M+Na-2H]- 402.17990 192.6
[M]+ 381.20468 189.2
[M]- 381.20578 189.2
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.