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]+ 365.22238 191.0
[M+Na]+ 387.20432 193.7
[M-H]- 363.20782 196.3
[M+NH4]+ 382.24892 200.3
[M+K]+ 403.17826 187.4
[M+H-H2O]+ 347.21236 178.4
[M+HCOO]- 409.21330 203.6
[M+CH3COO]- 423.22895 198.0
[M+Na-2H]- 385.18977 192.2
[M]+ 364.21455 185.7
[M]- 364.21565 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.