CID 16769614

3-phenyl-1-(piperazin-1-yl)propan-1-one

Structural Information

Molecular Formula
C13H18N2O
SMILES
C1CN(CCN1)C(=O)CCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O/c16-13(15-10-8-14-9-11-15)7-6-12-4-2-1-3-5-12/h1-5,14H,6-11H2
InChIKey
VBXKDEVTVQJYTD-UHFFFAOYSA-N
Compound name
3-phenyl-1-piperazin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

218.1419 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 152.0
[M+Na]+ 241.131118 155.5
[M-H]- 217.134624 153.1
[M+NH4]+ 236.175723 166.2
[M+K]+ 257.105058 151.7
[M+H-H2O]+ 201.139160 143.1
[M+HCOO]- 263.140101 167.6
[M+CH3COO]- 277.155751 184.2
[M+Na-2H]- 239.116566 156.0
[M]+ 218.14135142 145.5
[M]- 218.14244858 145.5
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