CID 11778231

N1-(2-methoxyphenyl)-n4-hexylpiperazine

Structural Information

Molecular Formula
C17H28N2O
SMILES
CCCCCCN1CCN(CC1)C2=CC=CC=C2OC
InChI
InChI=1S/C17H28N2O/c1-3-4-5-8-11-18-12-14-19(15-13-18)16-9-6-7-10-17(16)20-2/h6-7,9-10H,3-5,8,11-15H2,1-2H3
InChIKey
QLLNEODTUOCQKR-UHFFFAOYSA-N
Compound name
1-hexyl-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

276.22015 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.22743 170.3
[M+Na]+ 299.20937 174.3
[M-H]- 275.21287 172.6
[M+NH4]+ 294.25397 183.6
[M+K]+ 315.18331 170.5
[M+H-H2O]+ 259.21741 160.5
[M+HCOO]- 321.21835 186.8
[M+CH3COO]- 335.23400 201.6
[M+Na-2H]- 297.19482 172.3
[M]+ 276.21960 169.3
[M]- 276.22070 169.3
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.