CID 1206470

2-(4-benzylpiperazino)-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 187.1
[M+Na]+ 380.15002 201.5
[M+NH4]+ 375.19462 194.9
[M+K]+ 396.12396 192.2
[M-H]- 356.15352 193.1
[M+Na-2H]- 378.13547 195.9
[M]+ 357.16025 191.1
[M]- 357.16135 191.1
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.