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]+ 361.227426 191.2
[M+Na]+ 383.209368 195.1
[M-H]- 359.212874 197.2
[M+NH4]+ 378.253973 201.0
[M+K]+ 399.183308 188.7
[M+H-H2O]+ 343.217410 178.9
[M+HCOO]- 405.218351 205.0
[M+CH3COO]- 419.234001 198.9
[M+Na-2H]- 381.194816 192.8
[M]+ 360.21960142 187.9
[M]- 360.22069858 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.