CID 218560

1-piperazineacetamide, n-phenyl-

Structural Information

Molecular Formula

C₁₂H₁₇N₃O

SMILES

C1CN(CCN1CC(=O)N)C2=CC=CC=C2

InChI

InChI=1S/C12H17N3O/c13-12(16)10-14-6-8-15(9-7-14)11-4-2-1-3-5-11/h1-5H,6-10H2,(H2,13,16)

InChIKey

HOAQKIGCRVMLLG-UHFFFAOYSA-N

Compound name

2-(4-phenylpiperazin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 57
Patents: 219.13716 Da
Monoisotopic Mass: 0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	220.144436	150.9
[M+Na]+	242.126378	155.4
[M-H]-	218.129884	153.4
[M+NH4]+	237.170983	165.4
[M+K]+	258.100318	152.2
[M+H-H2O]+	202.134420	141.8
[M+HCOO]-	264.135361	168.8
[M+CH3COO]-	278.151011	189.8
[M+Na-2H]-	240.111826	154.6
[M]+	219.13661142	144.8
[M]-	219.13770858	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe