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

literature stripe

Patent stripe

patents stripe