CID 3261601

2-(4-benzoylpiperazin-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C13H18N2O2
SMILES
C1CN(CCN1CCO)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c16-11-10-14-6-8-15(9-7-14)13(17)12-4-2-1-3-5-12/h1-5,16H,6-11H2
InChIKey
DBMBIBSNWGXLHE-UHFFFAOYSA-N
Compound name
[4-(2-hydroxyethyl)piperazin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

234.13683 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 155.1
[M+Na]+ 257.12605 159.5
[M-H]- 233.12955 156.5
[M+NH4]+ 252.17065 168.9
[M+K]+ 273.09999 156.2
[M+H-H2O]+ 217.13409 146.2
[M+HCOO]- 279.13503 170.9
[M+CH3COO]- 293.15068 187.4
[M+Na-2H]- 255.11150 158.3
[M]+ 234.13628 150.4
[M]- 234.13738 150.4
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