CID 3040362

1-phenyl-4-(3-((5,6,7,8-tetrahydro-1-naphthalenyl)oxy)propyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C23H30N2O
SMILES
C1CCC2=C(C1)C=CC=C2OCCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H30N2O/c1-2-10-21(11-3-1)25-17-15-24(16-18-25)14-7-19-26-23-13-6-9-20-8-4-5-12-22(20)23/h1-3,6,9-11,13H,4-5,7-8,12,14-19H2
InChIKey
ZGKXRVBURBDOGQ-UHFFFAOYSA-N
Compound name
1-phenyl-4-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

350.2358 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.243076 188.1
[M+Na]+ 373.225018 189.7
[M-H]- 349.228524 193.0
[M+NH4]+ 368.269623 197.9
[M+K]+ 389.198958 183.3
[M+H-H2O]+ 333.233060 175.4
[M+HCOO]- 395.234001 200.4
[M+CH3COO]- 409.249651 194.8
[M+Na-2H]- 371.210466 189.9
[M]+ 350.23525142 181.7
[M]- 350.23634858 181.7
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

patents stripe