CID 1206470

2-(4-benzyl-1-piperazinyl)-n-(3-chloro-4-methylphenyl)acetamide

Structural Information

Molecular Formula
C20H24ClN3O
SMILES
CC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C20H24ClN3O/c1-16-7-8-18(13-19(16)21)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)
InChIKey
GBKVCANDSHLVDN-UHFFFAOYSA-N
Compound name
2-(4-benzylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

357.1608 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.16808 186.9
[M+Na]+ 380.15002 191.6
[M-H]- 356.15352 192.3
[M+NH4]+ 375.19462 196.8
[M+K]+ 396.12396 184.6
[M+H-H2O]+ 340.15806 176.0
[M+HCOO]- 402.15900 199.2
[M+CH3COO]- 416.17465 195.0
[M+Na-2H]- 378.13547 187.8
[M]+ 357.16025 184.7
[M]- 357.16135 184.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.