CID 648525

1-[2-(diphenylmethoxy)ethyl]piperazine

Structural Information

Molecular Formula
C19H24N2O
SMILES
C1CN(CCN1)CCOC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2O/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)22-16-15-21-13-11-20-12-14-21/h1-10,19-20H,11-16H2
InChIKey
MBFDHHKTIBKZNR-UHFFFAOYSA-N
Compound name
1-(2-benzhydryloxyethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

67
Patents

296.18887 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 172.1
[M+Na]+ 319.178088 173.7
[M-H]- 295.181594 175.4
[M+NH4]+ 314.222693 182.2
[M+K]+ 335.152028 168.2
[M+H-H2O]+ 279.186130 160.9
[M+HCOO]- 341.187071 186.6
[M+CH3COO]- 355.202721 179.8
[M+Na-2H]- 317.163536 175.3
[M]+ 296.18832142 165.6
[M]- 296.18941858 165.6
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