CID 55236

2(1h)-naphthalenone, 3,4-dihydro-6-(3-(4-phenyl-1-piperazinyl)propoxy)-, dihydrochloride

Structural Information

Molecular Formula
C23H28N2O2
SMILES
C1CC2=C(C=CC(=C2)OCCCN3CCN(CC3)C4=CC=CC=C4)C(=O)C1
InChI
InChI=1S/C23H28N2O2/c26-23-9-4-6-19-18-21(10-11-22(19)23)27-17-5-12-24-13-15-25(16-14-24)20-7-2-1-3-8-20/h1-3,7-8,10-11,18H,4-6,9,12-17H2
InChIKey
YZPJAHWQSIGYAB-UHFFFAOYSA-N
Compound name
6-[3-(4-phenylpiperazin-1-yl)propoxy]-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 191.0
[M+Na]+ 387.204318 193.7
[M-H]- 363.207824 196.3
[M+NH4]+ 382.248923 200.3
[M+K]+ 403.178258 187.4
[M+H-H2O]+ 347.212360 178.4
[M+HCOO]- 409.213301 203.6
[M+CH3COO]- 423.228951 198.0
[M+Na-2H]- 385.189766 192.2
[M]+ 364.21455142 185.7
[M]- 364.21564858 185.7
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

No patent data available for this compound.