CID 4741336

2-amino-1-(4-phenylpiperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H17N3O
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=O)CN
InChI
InChI=1S/C12H17N3O/c13-10-12(16)15-8-6-14(7-9-15)11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChIKey
ZIKLEKHJFFJJOZ-UHFFFAOYSA-N
Compound name
2-amino-1-(4-phenylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

219.13716 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.14444 151.2
[M+Na]+ 242.12638 162.4
[M+NH4]+ 237.17098 158.7
[M+K]+ 258.10032 156.3
[M-H]- 218.12988 154.3
[M+Na-2H]- 240.11183 157.9
[M]+ 219.13661 153.4
[M]- 219.13771 153.4
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