CID 3044759

Benzamide, 4-((chloroacetyl)amino)-n-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C21H24ClN3O2
SMILES
C1CN(CCC1NC(=O)C2=CC=C(C=C2)NC(=O)CCl)CC3=CC=CC=C3
InChI
InChI=1S/C21H24ClN3O2/c22-14-20(26)23-18-8-6-17(7-9-18)21(27)24-19-10-12-25(13-11-19)15-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,23,26)(H,24,27)
InChIKey
VJZNNDMDNWSQME-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1557 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.162976 191.8
[M+Na]+ 408.144918 194.3
[M-H]- 384.148424 198.3
[M+NH4]+ 403.189523 201.2
[M+K]+ 424.118858 188.0
[M+H-H2O]+ 368.152960 181.6
[M+HCOO]- 430.153901 205.8
[M+CH3COO]- 444.169551 221.4
[M+Na-2H]- 406.130366 192.5
[M]+ 385.15515142 188.8
[M]- 385.15624858 188.8
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.