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

102
Patents

296.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.159746 170.7
[M+Na]+ 319.141688 174.0
[M-H]- 295.145194 174.8
[M+NH4]+ 314.186293 181.1
[M+K]+ 335.115628 168.8
[M+H-H2O]+ 279.149730 159.9
[M+HCOO]- 341.150671 186.0
[M+CH3COO]- 355.166321 179.2
[M+Na-2H]- 317.127136 173.7
[M]+ 296.15192142 164.9
[M]- 296.15301858 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