CID 3069152

Brn 4542380

Structural Information

Molecular Formula
C23H26N2O
SMILES
C1CN(CCN1CCCOC2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4
InChI
InChI=1S/C23H26N2O/c1-2-9-22(10-3-1)25-16-14-24(15-17-25)13-6-18-26-23-12-11-20-7-4-5-8-21(20)19-23/h1-5,7-12,19H,6,13-18H2
InChIKey
YNOWHDNGRNBDQJ-UHFFFAOYSA-N
Compound name
1-(3-naphthalen-2-yloxypropyl)-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

346.2045 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.211776 186.1
[M+Na]+ 369.193718 189.8
[M-H]- 345.197224 191.8
[M+NH4]+ 364.238323 196.2
[M+K]+ 385.167658 183.0
[M+H-H2O]+ 329.201760 173.5
[M+HCOO]- 391.202701 201.3
[M+CH3COO]- 405.218351 193.9
[M+Na-2H]- 367.179166 190.0
[M]+ 346.20395142 182.5
[M]- 346.20504858 182.5
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

No patent data available for this compound.