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]+ 351.24308 188.1
[M+Na]+ 373.22502 189.7
[M-H]- 349.22852 193.0
[M+NH4]+ 368.26962 197.9
[M+K]+ 389.19896 183.3
[M+H-H2O]+ 333.23306 175.4
[M+HCOO]- 395.23400 200.4
[M+CH3COO]- 409.24965 194.8
[M+Na-2H]- 371.21047 189.9
[M]+ 350.23525 181.7
[M]- 350.23635 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