CID 3055315

1-(2-(6-methoxy-2-naphthalenyl)propyl)-4-phenylpiperazine

Structural Information

Molecular Formula
C24H28N2O
SMILES
CC(CN1CCN(CC1)C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C=C4)OC
InChI
InChI=1S/C24H28N2O/c1-19(20-8-9-22-17-24(27-2)11-10-21(22)16-20)18-25-12-14-26(15-13-25)23-6-4-3-5-7-23/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKey
ZMKYOJBMHGJESB-UHFFFAOYSA-N
Compound name
1-[2-(6-methoxynaphthalen-2-yl)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.22015 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.22743 191.2
[M+Na]+ 383.20937 195.1
[M-H]- 359.21287 197.2
[M+NH4]+ 378.25397 201.0
[M+K]+ 399.18331 188.7
[M+H-H2O]+ 343.21741 178.9
[M+HCOO]- 405.21835 205.0
[M+CH3COO]- 419.23400 198.9
[M+Na-2H]- 381.19482 192.8
[M]+ 360.21960 187.9
[M]- 360.22070 187.9
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

No patent data available for this compound.