CID 41548

Brn 1270283

Structural Information

Molecular Formula

C₂₃H₂₉N₃O₂

SMILES

CC1=CC=C(C=C1)N(C)C(=O)C2=CC=CC=C2N(C)C(=O)CN3CCCCC3

InChI

InChI=1S/C23H29N3O2/c1-18-11-13-19(14-12-18)24(2)23(28)20-9-5-6-10-21(20)25(3)22(27)17-26-15-7-4-8-16-26/h5-6,9-14H,4,7-8,15-17H2,1-3H3

InChIKey

BEZGENOGGHDVMM-UHFFFAOYSA-N

Compound name

N-methyl-N-(4-methylphenyl)-2-[methyl-(2-piperidin-1-ylacetyl)amino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 379.22598 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.233256	193.8
[M+Na]+	402.215198	194.8
[M-H]-	378.218704	203.0
[M+NH4]+	397.259803	203.6
[M+K]+	418.189138	192.5
[M+H-H2O]+	362.223240	182.3
[M+HCOO]-	424.224181	212.5
[M+CH3COO]-	438.239831	230.3
[M+Na-2H]-	400.200646	192.5
[M]+	379.22543142	191.4
[M]-	379.22652858	191.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.