CID 3055305

1-(2-(6-methoxy-2-naphthalenyl)propyl)piperazine dihydrochloride

Structural Information

Molecular Formula
C18H24N2O
SMILES
CC(CN1CCNCC1)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C18H24N2O/c1-14(13-20-9-7-19-8-10-20)15-3-4-17-12-18(21-2)6-5-16(17)11-15/h3-6,11-12,14,19H,7-10,13H2,1-2H3
InChIKey
DGFACWGEXUATRT-UHFFFAOYSA-N
Compound name
1-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

284.18887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.196146 170.0
[M+Na]+ 307.178088 174.2
[M-H]- 283.181594 172.0
[M+NH4]+ 302.222693 182.8
[M+K]+ 323.152028 168.9
[M+H-H2O]+ 267.186130 160.3
[M+HCOO]- 329.187071 183.4
[M+CH3COO]- 343.202721 178.6
[M+Na-2H]- 305.163536 172.9
[M]+ 284.18832142 165.5
[M]- 284.18941858 165.5
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