CID 2756655

N-benzyl-2-(piperazin-1-yl)acetamide

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CN(CCN1)CC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C13H19N3O/c17-13(11-16-8-6-14-7-9-16)15-10-12-4-2-1-3-5-12/h1-5,14H,6-11H2,(H,15,17)
InChIKey
PEFLHMLMYGIRGW-UHFFFAOYSA-N
Compound name
N-benzyl-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

233.15282 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 154.9
[M+Na]+ 256.142038 157.6
[M-H]- 232.145544 155.9
[M+NH4]+ 251.186643 168.1
[M+K]+ 272.115978 153.6
[M+H-H2O]+ 216.150080 145.7
[M+HCOO]- 278.151021 171.6
[M+CH3COO]- 292.166671 189.1
[M+Na-2H]- 254.127486 159.5
[M]+ 233.15227142 147.8
[M]- 233.15336858 147.8
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

patents stripe