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]+ 382.212506 192.6
[M+Na]+ 404.194448 194.5
[M-H]- 380.197954 199.5
[M+NH4]+ 399.239053 201.3
[M+K]+ 420.168388 190.5
[M+H-H2O]+ 364.202490 181.6
[M+HCOO]- 426.203431 210.8
[M+CH3COO]- 440.219081 224.4
[M+Na-2H]- 402.179896 192.6
[M]+ 381.20468142 189.2
[M]- 381.20577858 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.