CID 13053544

1-[4-(benzyloxy)benzoyl]piperazine hydrochloride

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1CN(CCN1)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O2/c21-18(20-12-10-19-11-13-20)16-6-8-17(9-7-16)22-14-15-4-2-1-3-5-15/h1-9,19H,10-14H2
InChIKey
DFFBWJWKKVFBTC-UHFFFAOYSA-N
Compound name
(4-phenylmethoxyphenyl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

296.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.7
[M+Na]+ 319.14169 174.0
[M-H]- 295.14519 174.8
[M+NH4]+ 314.18629 181.1
[M+K]+ 335.11563 168.8
[M+H-H2O]+ 279.14973 159.9
[M+HCOO]- 341.15067 186.0
[M+CH3COO]- 355.16632 179.2
[M+Na-2H]- 317.12714 173.7
[M]+ 296.15192 164.9
[M]- 296.15302 164.9
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