CID 676244

160449-77-4

Structural Information

Molecular Formula
C23H24N2O
SMILES
C1CN(CCN1CCC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4
InChI
InChI=1S/C23H24N2O/c26-23(21-11-10-19-6-4-5-7-20(19)18-21)12-13-24-14-16-25(17-15-24)22-8-2-1-3-9-22/h1-11,18H,12-17H2
InChIKey
UTWZEAFHTFHBKG-UHFFFAOYSA-N
Compound name
1-naphthalen-2-yl-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

344.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.196146 185.2
[M+Na]+ 367.178088 188.9
[M-H]- 343.181594 191.0
[M+NH4]+ 362.222693 195.2
[M+K]+ 383.152028 182.0
[M+H-H2O]+ 327.186130 173.0
[M+HCOO]- 389.187071 199.5
[M+CH3COO]- 403.202721 193.0
[M+Na-2H]- 365.163536 188.1
[M]+ 344.18832142 180.4
[M]- 344.18941858 180.4
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