CID 3055311

1-benzoyl-4-(2-(6-methoxy-2-naphthalenyl)propyl)piperazine

Structural Information

Molecular Formula
C25H28N2O2
SMILES
CC(CN1CCN(CC1)C(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C=C4)OC
InChI
InChI=1S/C25H28N2O2/c1-19(21-8-9-23-17-24(29-2)11-10-22(23)16-21)18-26-12-14-27(15-13-26)25(28)20-6-4-3-5-7-20/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKey
XYUYIOYRMRQHMI-UHFFFAOYSA-N
Compound name
[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.2151 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.22238 197.5
[M+Na]+ 411.20432 200.8
[M-H]- 387.20782 203.5
[M+NH4]+ 406.24892 205.9
[M+K]+ 427.17826 194.9
[M+H-H2O]+ 371.21236 185.2
[M+HCOO]- 433.21330 210.3
[M+CH3COO]- 447.22895 204.5
[M+Na-2H]- 409.18977 197.6
[M]+ 388.21455 194.6
[M]- 388.21565 194.6
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

patents stripe