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]+ 347.21178 186.1
[M+Na]+ 369.19372 189.8
[M-H]- 345.19722 191.8
[M+NH4]+ 364.23832 196.2
[M+K]+ 385.16766 183.0
[M+H-H2O]+ 329.20176 173.5
[M+HCOO]- 391.20270 201.3
[M+CH3COO]- 405.21835 193.9
[M+Na-2H]- 367.17917 190.0
[M]+ 346.20395 182.5
[M]- 346.20505 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.