CID 95766

1-(2-phenoxyethyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C18H22N2O
SMILES
C1CN(CCN1CCOC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H22N2O/c1-3-7-17(8-4-1)20-13-11-19(12-14-20)15-16-21-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKey
UVMOXXAVDKCMPN-UHFFFAOYSA-N
Compound name
1-(2-phenoxyethyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

282.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.180496 168.2
[M+Na]+ 305.162438 172.0
[M-H]- 281.165944 173.4
[M+NH4]+ 300.207043 180.0
[M+K]+ 321.136378 167.0
[M+H-H2O]+ 265.170480 156.9
[M+HCOO]- 327.171421 185.5
[M+CH3COO]- 341.187071 177.5
[M+Na-2H]- 303.147886 172.7
[M]+ 282.17267142 164.1
[M]- 282.17376858 164.1
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