CID 10474335

1-cyclohexyl-4-(3-(1,2,3,4-tetrahydro-5-methoxy-1-naphthalenyl)propyl)piperazine

Structural Information

Molecular Formula
C24H38N2O
SMILES
COC1=CC=CC2=C1CCCC2CCCN3CCN(CC3)C4CCCCC4
InChI
InChI=1S/C24H38N2O/c1-27-24-14-6-12-22-20(8-5-13-23(22)24)9-7-15-25-16-18-26(19-17-25)21-10-3-2-4-11-21/h6,12,14,20-21H,2-5,7-11,13,15-19H2,1H3
InChIKey
PHRCDWVPTULQMT-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-[3-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

50
Patents

370.2984 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.30568 197.0
[M+Na]+ 393.28762 195.9
[M-H]- 369.29112 200.8
[M+NH4]+ 388.33222 205.9
[M+K]+ 409.26156 190.0
[M+H-H2O]+ 353.29566 184.2
[M+HCOO]- 415.29660 204.5
[M+CH3COO]- 429.31225 201.9
[M+Na-2H]- 391.27307 194.3
[M]+ 370.29785 187.0
[M]- 370.29895 187.0
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