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

58
Patents

219.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 150.9
[M+Na]+ 242.12638 155.4
[M-H]- 218.12988 153.4
[M+NH4]+ 237.17098 165.4
[M+K]+ 258.10032 152.2
[M+H-H2O]+ 202.13442 141.8
[M+HCOO]- 264.13536 168.8
[M+CH3COO]- 278.15101 189.8
[M+Na-2H]- 240.11183 154.6
[M]+ 219.13661 144.8
[M]- 219.13771 144.8
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