CID 3047465

Benzamide, 4-(acetylamino)-n-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H25N3O2
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C21H25N3O2/c1-16(25)22-19-9-7-18(8-10-19)21(26)23-20-11-13-24(14-12-20)15-17-5-3-2-4-6-17/h2-10,20H,11-15H2,1H3,(H,22,25)(H,23,26)
InChIKey
CQFPAFRVDRBPBH-UHFFFAOYSA-N
Compound name
4-acetamido-N-(1-benzylpiperidin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.19467 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.20195 184.9
[M+Na]+ 374.18389 186.6
[M-H]- 350.18739 191.7
[M+NH4]+ 369.22849 194.8
[M+K]+ 390.15783 182.0
[M+H-H2O]+ 334.19193 174.2
[M+HCOO]- 396.19287 203.4
[M+CH3COO]- 410.20852 217.9
[M+Na-2H]- 372.16934 186.2
[M]+ 351.19412 179.4
[M]- 351.19522 179.4
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.