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]+ 386.16298 192.9
[M+Na]+ 408.14492 204.8
[M+NH4]+ 403.18952 199.8
[M+K]+ 424.11886 196.6
[M-H]- 384.14842 198.8
[M+Na-2H]- 406.13037 200.9
[M]+ 385.15515 196.3
[M]- 385.15625 196.3
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.