CID 2029938

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

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CN(CCN1)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H17N3O/c16-12(10-15-8-6-13-7-9-15)14-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,14,16)
InChIKey
CRWKCZVMUKINKH-UHFFFAOYSA-N
Compound name
N-phenyl-2-piperazin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

219.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 150.6
[M+Na]+ 242.12638 153.7
[M-H]- 218.12988 151.8
[M+NH4]+ 237.17098 164.4
[M+K]+ 258.10032 150.0
[M+H-H2O]+ 202.13442 141.5
[M+HCOO]- 264.13536 167.6
[M+CH3COO]- 278.15101 186.1
[M+Na-2H]- 240.11183 155.6
[M]+ 219.13661 143.1
[M]- 219.13771 143.1
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

patents stripe